SCHEMBL856017

SCHEMBL856017

CC(C)(C)S(=O)(=O)c1ccccc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
HSD11B1 P28845 2/20 0.49
SLC22A12 Q96S37 11/20 0.49
RXFP1 Q9HBX9 1/20 0.45
ALDH1A1 P00352 1/20 0.44
CYP2C9 P11712 1/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
SLC22A8 Q8TCC7 1/20 0.43
SLC22A11 Q9NSA0 1/20 0.43
KAT6A Q92794 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8430034 0.81 KMT2A (0.49) KMT2AMEN1HSD11B1SLC22A12ALDH1A1
SCHEMBL515098 0.81 KMT2A (0.56) KMT2AMEN1HSD11B1SLC22A12RXFP1
SCHEMBL31544313 0.81 MEN1 (0.56) KMT2AMEN1HSD11B1SLC22A12RXFP1
SCHEMBL29874131 0.80 MEN1 (0.60) KMT2AMEN1HSD11B1SLC22A12RXFP1
SCHEMBL3625928 0.80 MEN1 (0.60) KMT2AMEN1HSD11B1SLC22A12RXFP1
SCHEMBL8716804 0.79 L3MBTL1 (0.50) KMT2AMEN1HSD11B1ALDH1A1CYP2C9
SCHEMBL1516275 0.78 MEN1 (0.58) KMT2AMEN1HSD11B1SLC22A12RXFP1
SCHEMBL27993982 0.78 MEN1 (0.58) KMT2AMEN1HSD11B1SLC22A12RXFP1
SCHEMBL10292998 0.78 KMT2A (0.53) KMT2AMEN1HSD11B1SLC22A12ALDH1A1
SCHEMBL247640 0.77 KMT2A (0.56) KMT2AMEN1HSD11B1SLC22A12RXFP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212195-A1 COMPOUNDS, CONJUGATES, AND COMPOSITIONS OF EPIPOLYTHIODIKETOPIPERAZINES AND POLYTHIODIKETOPIPERAZINES AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-07-06 US disclosed
US-11535634-B2 Compounds, conjugates, and compositions of epipolythiodiketopiperazines and polythiodiketopiperazines and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2022-12-27 US disclosed
US-10918735-B2 Substituted pyrazino[1′,2′:1,5]pyrrolo[2,3-b]indole-1,4-diones for cancer treatment MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2021-02-16 US disclosed
US-20200385407-A1 COMPOUNDS, CONJUGATES, AND COMPOSITIONS OF EPIPOLYTHIODIKETOPIPERAZINES AND POLYTHIODIKETOPIPERAZINES AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2020-12-10 US disclosed
US-20190255187-A1 SUBSTITUTED PYRAZINO[1',2':1,5]PYRROLO[2,3-B]INDOLE-1,4-DIONES FOR CANCER TREATMENT MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2019-08-22 US disclosed
US-10220099-B2 Substituted pyrazino[1′,2′:1 ,5]pyrrolo[2,3-b]indole-1,4-diones for cancer treatment MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2019-03-05 US disclosed
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 US disclosed
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 US disclosed
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2016-06-23 US disclosed
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2015-10-15 US disclosed
US-8252935-B2 Piperidinyl and piperazinyl modulators of γ-secretase JANSSEN PHARMACEUTICA N.V. (BE) 2012-08-28 US disclosed
US-8143271-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-03-27 US disclosed
US-20120053177-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2012-03-01 US disclosed
US-20120022098-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2012-01-26 US disclosed
US-20110059963-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2011-03-10 US disclosed
US-7863288-B2 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents PLEXXIKON, INC. (US) 2011-01-04 US disclosed
US-20100249118-A1 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents PLEXXIKON INC. 2010-09-30 US disclosed
US-20100249118-A1 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents PLEXXIKON INC. 2010-09-30 US disclosed
US-20090105275-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF y-SECRETASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-23 US disclosed
US-20090105275-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF y-SECRETASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100249118-A1 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents MAP4K1, MAP4K2, MAP3K1 KMT2A 2346/4885MEN1 4089/4885HSD11B1 4334/4885
US-20090105275-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF y-SECRETASE BACE1, BACE2, PSEN1 KMT2A 1961/4885MEN1 4135/4885HSD11B1 3320/4885
US-20230212195-A1 COMPOUNDS, CONJUGATES, AND COMPOSITIONS OF EPIPOLYTHIODIKETOPIPERAZINES AND POLYTHIODIKETOPIPERAZINES AND USES THEREOF DNPEP, DHPS, NPEPPS KMT2A 1179/4885MEN1 2262/4885HSD11B1 1121/4885
US-20120053177-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 KMT2A 1133/4885MEN1 1452/4885HSD11B1 2445/4885
US-20120022098-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 KMT2A 1133/4885MEN1 1452/4885HSD11B1 2445/4885
US-20110059963-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 KMT2A 1133/4885MEN1 1452/4885HSD11B1 2445/4885
US-20190255187-A1 SUBSTITUTED PYRAZINO[1',2':1,5]PYRROLO[2,3-B]INDOLE-1,4-DIONES FOR CANCER TREATMENT IDO1, NPY1R, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 KMT2A 1717/4885MEN1 592/4885HSD11B1 1494/4885
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 KMT2A 1133/4885MEN1 1452/4885HSD11B1 2445/4885
US-10918735-B2 Substituted pyrazino[1′,2′:1,5]pyrrolo[2,3-b]indole-1,4-diones for cancer treatment IDO1, IDO2, INMT KMT2A 2418/4885MEN1 877/4885HSD11B1 96/4885
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 KMT2A 1133/4885MEN1 1452/4885HSD11B1 2445/4885
US-10220099-B2 Substituted pyrazino[1′,2′:1 ,5]pyrrolo[2,3-b]indole-1,4-diones for cancer treatment IDO1, NPY1R, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 KMT2A 1671/4885MEN1 609/4885HSD11B1 1441/4885
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 KMT2A 1133/4885MEN1 1452/4885HSD11B1 2445/4885
US-11535634-B2 Compounds, conjugates, and compositions of epipolythiodiketopiperazines and polythiodiketopiperazines and uses thereof DNPEP, DHPS, NPEPPS KMT2A 1179/4885MEN1 2262/4885HSD11B1 1121/4885
US-20200385407-A1 COMPOUNDS, CONJUGATES, AND COMPOSITIONS OF EPIPOLYTHIODIKETOPIPERAZINES AND POLYTHIODIKETOPIPERAZINES AND USES THEREOF DNPEP, DHPS, NPEPPS KMT2A 1179/4885MEN1 2262/4885HSD11B1 1121/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.