SCHEMBL853152

SCHEMBL853152

CC(C)(C)S(=O)(=O)c1cccc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
ABCC9 O60706 1/20 0.43
ABCC8 Q09428 1/20 0.43
KCNJ11 Q14654 1/20 0.43
KCNJ8 Q15842 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
NFE2L2 Q16236 5/20 0.41
HTR2C P28335 2/20 0.41
HTR2A P28223 1/20 0.41
HTR2B P41595 1/20 0.41
ACHE P22303 1/20 0.40
PGR P06401 1/20 0.40
ALOX15 P16050 1/20 0.39
KAT6A Q92794 1/20 0.39
GBA1 P04062 1/20 0.39
HTR6 P50406 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL17942291 0.88 ABCC9 (0.43) ALDH1A1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL1272213 0.82 ALDH1A1 (0.50) ALDH1A1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL1465656 0.80 ABCC9 (0.45) ALDH1A1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7938503 0.80 CA12 (0.42) CA12CA1CA2CA9NFE2L2
SCHEMBL12666581 0.79 ALDH1A1 (0.45) ALDH1A1CA12CA1CA9ALOX15
SCHEMBL855637 0.78 KMT2A (0.52) ALDH1A1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL1498512 0.77 CA1 (0.57) ALDH1A1CA1CA2PGRMEN1
SCHEMBL775429 0.77 PTGS2 (0.47) CA12CA1CA2CA9NFE2L2
SCHEMBL775608 0.76 HTR2C (0.59) ABCC9ABCC8KCNJ11KCNJ8CA12
SCHEMBL12325608 0.76 ALDH1A1 (0.44) ALDH1A1CA1CA2CA9PGR

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8809337-B2 Carbamoyl derivatives of bicyclic carbonylamino-pyrazoles as prodrugs NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-08-19 US disclosed
US-8809337-B2 Carbamoyl derivatives of bicyclic carbonylamino-pyrazoles as prodrugs NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2014-08-19 US disclosed
US-20130303534-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2013-11-14 US disclosed
US-20130261117-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2013-10-03 US disclosed
US-20130203770-A1 CARBAMOYL DERIVATIVES OF BICYCLIC CARBONYLAMINO-PYRAZOLES AS PRODRUGS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-08-08 US disclosed
US-20130203770-A1 CARBAMOYL DERIVATIVES OF BICYCLIC CARBONYLAMINO-PYRAZOLES AS PRODRUGS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-08-08 US disclosed
US-8470818-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2013-06-25 US disclosed
US-8143271-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-03-27 US disclosed
US-20110118278-A1 CARBAMOYL DERIVATIVES OF BICYCLIC CARBONYLAMINO-PYRAZOLES AS PRODRUGS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-05-19 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-20090137601-A1 L-Phenylalanine Derivatives ASTRAZENECA AB (SE) 2009-05-28 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 (8 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 ALDH1A1 3144/4885ABCC9 4583/4885ABCC8 4245/4885
US-20110059963-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 ALDH1A1 4348/4885ABCC9 4585/4885ABCC8 3795/4885
US-20130261117-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 ALDH1A1 4348/4885ABCC9 4585/4885ABCC8 3795/4885
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 ALDH1A1 4348/4885ABCC9 4585/4885ABCC8 3795/4885
US-20130303534-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 ALDH1A1 4348/4885ABCC9 4585/4885ABCC8 3795/4885
US-20130203770-A1 CARBAMOYL DERIVATIVES OF BICYCLIC CARBONYLAMINO-PYRAZOLES AS PRODRUGS DMPK, DCK, MAP3K19 ALDH1A1 2295/4885ABCC9 1567/4885ABCC8 1265/4885
US-20090137601-A1 L-Phenylalanine Derivatives ITGB5, ITGB1, ITGA2B ALDH1A1 1156/4885ABCC9 2981/4885ABCC8 3363/4885
US-20110118278-A1 CARBAMOYL DERIVATIVES OF BICYCLIC CARBONYLAMINO-PYRAZOLES AS PRODRUGS DMPK, DCK, MAP3K19 ALDH1A1 2295/4885ABCC9 1567/4885ABCC8 1265/4885

“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.