SCHEMBL2746423

SCHEMBL2746423

C=CNc1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 17/20 0.61
CA1 P00915 15/20 0.61
CA9 Q16790 14/20 0.61
CA12 O43570 11/20 0.61
CA4 P22748 4/20 0.57
CA5A P35218 3/20 0.57
CA7 P43166 3/20 0.57
CA5B Q9Y2D0 3/20 0.57
CA6 P23280 2/20 0.57
CA14 Q9ULX7 2/20 0.57
KMT2A Q03164 1/20 0.52
HTT P42858 1/20 0.47
USP2 O75604 1/20 0.46
TSHR P16473 1/20 0.46
CA13 Q8N1Q1 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
AGO2 Q9UKV8 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL1414315 0.81 CA2 (0.59) CA2CA1CA9CA12CA4
SCHEMBL12903573 0.81 CA2 (0.59) CA2CA1CA9CA12CA4
SCHEMBL31153234 0.76 ALDH1A1 (0.35) ALDH1A1
SCHEMBL8336716 0.76 CA2 (0.62) CA2CA1CA9CA12CA4
SCHEMBL28102126 0.75 CA2 (0.70) CA2CA1CA9CA12CA4
SCHEMBL28107398 0.75 SOS1 (0.70) CA2CA1CA9CA12CA4
SCHEMBL29178993 0.75 CA2 (0.96) CA2CA1CA9CA12CA4
SCHEMBL202948 0.74 CA2 (0.81) CA2CA1CA9CA12CA4
SCHEMBL9097720 0.73 CA1 (0.54) CA2CA1CA9CA12CA4
SCHEMBL202328 0.73 TGM2 (0.70) CA2CA1CA9CA12KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080234380-A1 Compositions and method for treatment of chronic inflammatory diseases SHAPIRO HOWARD K 2008-09-25 US claimed
CN-1831144-A Granulated sugar and production method thereof NUERLAN KENJIAHAMAITI (CN) 2006-09-13 CN claimed
US-20050090553-A1 Compositions and method for treatment of chronic inflammatory diseases SECANT PHARMA, LLC 2005-04-28 US claimed
EP-0759750-A4 COMPOSITIONS FOR TREATMENT OF CHRONIC INFLAMMATORY DISEASES SHAPIRO HOWARD K (US) 1998-05-27 EP claimed
EP-0759750-A1 COMPOSITIONS FOR TREATMENT OF CHRONIC INFLAMMATORY DISEASES SHAPIRO, Howard, K. (US) 1997-03-05 EP claimed
WO-1995031194-A1 COMPOSITIONS FOR TREATMENT OF CHRONIC INFLAMMATORY DISEASES SHAPIRO HOWARD K (US) 1995-11-23 WO claimed
US-9795603-B2 Pharmaceutical compositions of 7-(6-(2-hydroxypropan-2-yl)pyridin-3-yl)-1-((trans)-4-methoxycyclohexyl)-3,4-dihydropyrazino [2,3-B]pyrazin-2(1H)-one, a solid form thereof and methods of their use SIGNAL PHARMACEUTICALS, LLC (US) 2017-10-24 US disclosed
US-20160303133-A1 TREATMENT OF GASTROINTESTINAL AND OTHER DISORDERS NUMEDII, INC. (US) 2016-10-20 US disclosed
EP-2983657-A1 TREATMENT OF GASTROINTESTINAL AND OTHER DISORDERS Numedii, Inc. (US) 2016-02-17 EP disclosed
CN-105263482-A Treatment of gastrointestinal and other disorders NUMEDII INC 2016-01-20 CN disclosed
CN-105218632-A As peptide or plan peptide, the Preparation Method And The Use of transglutaminase inhibitor ZEDIRA GMBH 2016-01-06 CN disclosed
WO-2014165823-A1 TREATMENT OF GASTROINTESTINAL AND OTHER DISORDERS NUMEDII, INC. (US) 2014-10-09 WO disclosed
US-8178516-B2 Composition of 4-guanidinobenzoic acid HCl, a co-agent suitable for systemic administration solely via the oral route, antioxidants, vitamins, metabolites Sylvan Labs, LLC (US) 2012-05-15 US disclosed
US-20050090553-A1 Compositions and method for treatment of chronic inflammatory diseases SECANT PHARMA, LLC 2005-04-28 US disclosed
US-6326364-B1 BACTERICIDES CEDARS-SINAI MEDICAL CENTER 2001-12-04 US disclosed
CN-1285823-A Phenyl-alkyl-imidazoles as H3 receptor antagonists SCHERING CORP (US) 2001-02-28 CN disclosed
WO-2000045803-A2 USE OF 5-AMINOSALICYLATES AS ANTIMICROBIAL AGENTS CEDARS-SINAI MEDICAL CENTER (US) 2000-08-10 WO disclosed
EP-0759750-A4 COMPOSITIONS FOR TREATMENT OF CHRONIC INFLAMMATORY DISEASES SHAPIRO HOWARD K (US) 1998-05-27 EP disclosed
EP-0759750-A1 COMPOSITIONS FOR TREATMENT OF CHRONIC INFLAMMATORY DISEASES SHAPIRO, Howard, K. (US) 1997-03-05 EP disclosed
WO-1995031194-A1 COMPOSITIONS FOR TREATMENT OF CHRONIC INFLAMMATORY DISEASES SHAPIRO HOWARD K (US) 1995-11-23 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 (3 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-20160303133-A1 TREATMENT OF GASTROINTESTINAL AND OTHER DISORDERS ADRB1, ADRB2, ADRA2B CA2 3595/4885CA1 4593/4885CA9 3490/4885
US-20050090553-A1 Compositions and method for treatment of chronic inflammatory diseases PCCA, HMGB1, PTGES CA2 1000/4885CA1 1403/4885CA9 1018/4885
US-20080234380-A1 Compositions and method for treatment of chronic inflammatory diseases HMGB1, PCCA, QSOX1 CA2 1023/4885CA1 1105/4885CA9 918/4885

“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.