SCHEMBL3038682

SCHEMBL3038682

C=Cc1cnc(Nc2ccc(S(=O)(=O)CC3CCN(C(=O)OC(C)(C)C)CC3)cc2)nc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.50
GPR119 Q8TDV5 8/20 0.48
TGM2 P21980 5/20 0.48
F13A1 P00488 4/20 0.48
TGM1 P22735 4/20 0.48
NAMPT P43490 1/20 0.44
TGFBR1 P36897 3/20 0.44
CCNK O75909 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CCND3 P30281 1/20 0.43
CDK9 P50750 1/20 0.43
CDK6 Q00534 1/20 0.43

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
SCHEMBL15103542 0.88 SYK (0.39) SYKGPR119TGM2F13A1TGM1
SCHEMBL5440869 0.88 NAMPT (0.57) SYKGPR119TGM2F13A1TGM1
SCHEMBL5445747 0.86 GPR119 (0.51) SYKGPR119TGM2F13A1TGM1
SCHEMBL14490207 0.86 TGM2 (0.64) SYKGPR119TGM2F13A1TGM1
SCHEMBL5436600 0.85 GPR119 (0.46) SYKGPR119TGM2F13A1TGM1
SCHEMBL5444087 0.85 NAMPT (0.54) SYKGPR119TGM2F13A1TGM1
SCHEMBL5446178 0.84 TGFBR1 (0.51) GPR119TGFBR1
SCHEMBL5446182 0.84 TGFBR1 (0.51) GPR119TGFBR1
SCHEMBL5447139 0.83 TGM2 (0.60) TGM2F13A1TGM1CCNKCCNA2
SCHEMBL14490299 0.82 GPR119 (0.50) SYKGPR119CCNKCCNA2CDK2

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-20130040932-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2013-02-14 US claimed
US-8304434-B2 Substituted aryl sulfone derivatives as calcium channel blockers MERCK SHARP & DOHME CORP. (US) 2012-11-06 US claimed
US-20100210620-A1 Substituted Aryl Sulfone Derivatives as Calcium Channel Blockers SCHERING CORPORATION 2010-08-19 US claimed
EP-2205083-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Merck Sharp & Dohme Corp. (US) 2010-07-14 EP claimed
WO-2009045382-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2009-04-09 WO claimed
EP-2205083-B1 Substituted aryl sulfone derivatives as calcium channel blockers MERCK SHARP & DOHME (US) 2013-07-17 EP disclosed
US-20130040932-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2013-02-14 US disclosed
US-8304434-B2 Substituted aryl sulfone derivatives as calcium channel blockers MERCK SHARP & DOHME CORP. (US) 2012-11-06 US disclosed
US-20100210620-A1 Substituted Aryl Sulfone Derivatives as Calcium Channel Blockers SCHERING CORPORATION 2010-08-19 US disclosed
EP-2205083-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Merck Sharp & Dohme Corp. (US) 2010-07-14 EP disclosed
WO-2009045382-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2009-04-09 WO disclosed
US-20070149508-A1 Six membered heteroaromatic inhibitors targeting resistant kinase mutations TARGEGEN, INC. (US) 2007-06-28 US disclosed
US-20070149508-A1 Six membered heteroaromatic inhibitors targeting resistant kinase mutations TARGEGEN, INC. (US) 2007-06-28 US disclosed
US-20070149508-A1 Six membered heteroaromatic inhibitors targeting resistant kinase mutations TARGEGEN, INC. (US) 2007-06-28 US disclosed
WO-2007056075-A2 SIX MEMBERED HETEROAROMATIC INHIBITORS TARGETING RESISTANT KINASE MUTATIONS TARGEGEN, INC. (US) 2007-05-18 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-20100210620-A1 Substituted Aryl Sulfone Derivatives as Calcium Channel Blockers TRPV1, TRPA1, CACNA1D SYK 913/4885GPR119 136/4885TGM2 4674/4885
US-20130040932-A1 SUBSTITUTED ARYL SULFONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS TRPV1, TRPA1, CACNA1D SYK 913/4885GPR119 136/4885TGM2 4674/4885
US-20070149508-A1 Six membered heteroaromatic inhibitors targeting resistant kinase mutations ABL1, KDR, BCR SYK 597/4885GPR119 2201/4885TGM2 1975/4885

“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.