SCHEMBL8103623

SCHEMBL8103623

CC(C)(C)S(=O)(=O)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.52
PRSS1 P07477 3/20 0.52
PRSS2 P07478 3/20 0.52
PRSS3 P35030 3/20 0.52
CA1 P00915 2/20 0.52
FAAH O00519 1/20 0.52
ELANE P08246 1/20 0.52
PRTN3 P24158 1/20 0.52
CA5A P35218 1/20 0.52
CA9 Q16790 1/20 0.52
MMP1 P03956 2/20 0.47
MMP13 P45452 2/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
KMT2A Q03164 2/20 0.45
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
F2 P00734 2/20 0.42
HSP90AA1 P07900 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
SCHEMBL8745503 0.86 CA2 (0.52) CA2PRSS1PRSS2PRSS3CA1
SCHEMBL22895119 0.81 PRSS1 (0.47) CA2PRSS1PRSS2PRSS3CA1
SCHEMBL28142782 0.79 CA2 (0.54) CA2PRSS1PRSS2PRSS3CA1
SCHEMBL507966 0.78 PSIP1 (0.48) CA2CA1CA5ACA9SMN1; SMN2
SCHEMBL17689402 0.78 L3MBTL1 (0.46) KMT2ASLC6A2ALDH1A1KDM4E
SCHEMBL19002687 0.78 CA2 (0.48) CA2CA1CA9MMP1MMP13
SCHEMBL12251565 0.78 SMN1; SMN2 (0.41) KMT2ASMN1; SMN2HPGDALDH1A1HSD17B10
SCHEMBL10147479 0.78 L3MBTL1 (0.43) KMT2ASMN1; SMN2TAAR1HPGDALDH1A1
SCHEMBL22955288 0.78 CA1 (0.44) CA2PRSS1PRSS2PRSS3CA1
SCHEMBL8745506 0.78 CA1 (0.44) CA2PRSS1PRSS2PRSS3CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996024601-A1 COMPLEXES, PROCESSES FOR THEIR PREPARATION AND THEIR USE UNIVERSITY COLLEGE DUBLIN (IE) 1996-08-15 WO claimed
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-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-20210179612-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2021-06-17 US disclosed
US-20210032229-A1 PYRIDINE RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2021-02-04 US disclosed
US-20210032222-A1 FIVE-MEMBERED RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2021-02-04 US disclosed
US-10894777-B2 TG2 inhibitor piperazine compounds and uses thereof UNIVERSITY OF OTTAWA (CA) 2021-01-19 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-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-20090318548-A1 PARA-QUINOL DERIVATIVES AND METHODS OF STEREO SELECTIVELY SYNTHESIZING AND USING SAME UNIVERSITY OF NORTHERN BRITISH COLUMBIA (CA) 2009-12-24 US disclosed
US-20090082308-A1 Benzothiophene derivatives MERCK SHARP & DOHME LLC 2009-03-26 US disclosed
US-7504391-B2 Selective D1/D5 receptor antagonists for the treatment of obesity and CNS disorders SCHERING CORPORATION (US) 2009-03-17 US disclosed
US-20080167304-A1 PHENYL-ANILINE SUBSTITUTED BICYCLIC COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-07-10 US disclosed
US-20080167304-A1 PHENYL-ANILINE SUBSTITUTED BICYCLIC COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-07-10 US disclosed
US-7342016-B2 Farnesyl protein transferase inhibitors as antitumor agents SCHERING CORPORATION (US) 2008-03-11 US disclosed
US-20070293530-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS METHYLGENE INC. (CA) 2007-12-20 US disclosed
US-20070203081-A1 AMINOGLYCOSIDES AS ANTIBIOTICS WAYNE STATE UNIVERSITY 2007-08-30 US disclosed
US-7220727-B2 For therapy of bacterial infection in a mammal WAYNE STATE UNIVERSITY (US) 2007-05-22 US disclosed
WO-1996024601-A1 COMPLEXES, PROCESSES FOR THEIR PREPARATION AND THEIR USE UNIVERSITY COLLEGE DUBLIN (IE) 1996-08-15 WO 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 (13 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-20230212195-A1 COMPOUNDS, CONJUGATES, AND COMPOSITIONS OF EPIPOLYTHIODIKETOPIPERAZINES AND POLYTHIODIKETOPIPERAZINES AND USES THEREOF DNPEP, DHPS, NPEPPS CA2 4534/4885PRSS1 3167/4885PRSS2 3043/4885
US-20210032229-A1 PYRIDINE RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF CBR3, CBR1, H1-0 CA2 1001/4885PRSS1 4706/4885PRSS2 4157/4885
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 CA2 2228/4885PRSS1 808/4885PRSS2 2001/4885
US-20210179612-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 CA2 2534/4885PRSS1 159/4885PRSS2 75/4885
US-20080167304-A1 PHENYL-ANILINE SUBSTITUTED BICYCLIC COMPOUNDS USEFUL AS KINASE INHIBITORS MAP4K2, MAP3K19, MAP3K1 CA2 3512/4885PRSS1 897/4885PRSS2 1519/4885
US-11535634-B2 Compounds, conjugates, and compositions of epipolythiodiketopiperazines and polythiodiketopiperazines and uses thereof DNPEP, DHPS, NPEPPS CA2 4534/4885PRSS1 3167/4885PRSS2 3043/4885
US-20090318548-A1 PARA-QUINOL DERIVATIVES AND METHODS OF STEREO SELECTIVELY SYNTHESIZING AND USING SAME CBR3, XDH, NQO2 CA2 4166/4885PRSS1 1669/4885PRSS2 2476/4885
US-20070293530-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HAT1 CA2 303/4885PRSS1 1089/4885PRSS2 1142/4885
US-10894777-B2 TG2 inhibitor piperazine compounds and uses thereof TGM2, TGM1, TGM3 CA2 476/4885PRSS1 263/4885PRSS2 79/4885
US-20070203081-A1 AMINOGLYCOSIDES AS ANTIBIOTICS PIGS, ALG8, NPEPPS CA2 4551/4885PRSS1 3505/4885PRSS2 3241/4885
US-20090082308-A1 Benzothiophene derivatives BRDT, HDAC5, BRPF3 CA2 757/4885PRSS1 1366/4885PRSS2 1255/4885
US-20210032222-A1 FIVE-MEMBERED RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF CBR3, CBR1, CYP8B1 CA2 3014/4885PRSS1 4852/4885PRSS2 4719/4885
US-20200385407-A1 COMPOUNDS, CONJUGATES, AND COMPOSITIONS OF EPIPOLYTHIODIKETOPIPERAZINES AND POLYTHIODIKETOPIPERAZINES AND USES THEREOF DNPEP, DHPS, NPEPPS CA2 4534/4885PRSS1 3167/4885PRSS2 3043/4885

“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.