SCHEMBL9922962

SCHEMBL9922962

O=C(Nc1ccc(-c2n[nH]c3ccccc3c2=O)cc1)NS(=O)(=O)c1ccc(Cl)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
ROCK1 Q13464 7/20 0.44
P2RY12 Q9H244 1/20 0.44
FBP1 P09467 1/20 0.43
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 2/20 0.41
ROCK2 O75116 2/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
TTK P33981 1/20 0.39
KIT P10721 1/20 0.38
MAP2K4 P45985 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
SCHEMBL9922639 0.87 P2RY12 (0.42) NAMPTKDM4ENPC1ALDH1A1TP53
SCHEMBL9922231 0.87 FBP1 (0.45) NAMPTKDM4ENPC1ALDH1A1TP53
SCHEMBL9922653 0.86 P2RY12 (0.46) NAMPTKDM4ENPC1ALDH1A1TP53
SCHEMBL12161694 0.85 ROCK1 (0.44) ALDH1A1ROCK1P2RY12FBP1MEN1
SCHEMBL9922954 0.82 P2RY12 (0.44) P2RY12FBP1MEN1LMNAKMT2A
SCHEMBL9922897 0.81 P2RY12 (0.47) KDM4EALDH1A1P2RY12FBP1MEN1
SCHEMBL14228352 0.79 CA12 (0.39) KDM4ENPC1ALDH1A1TP53RAB9A
SCHEMBL13633811 0.76 P2RY12 (0.42) ALDH1A1P2RY12FBP1MEN1LMNA
SCHEMBL9922217 0.76 P2RY12 (0.45) KDM4EALDH1A1P2RY12FBP1MEN1
SCHEMBL9922391 0.76 ROCK1 (0.45) ROCK1FBP1TTKKITMAP2K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524721-B2 Platelet ADP receptor inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2013-09-03 US disclosed
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-8067428-B2 Platelet ADP receptor inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2011-11-29 US disclosed
US-8067428-B2 Platelet ADP receptor inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2011-11-29 US disclosed
US-20100234350-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2010-09-16 US disclosed
US-20100234350-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2010-09-16 US disclosed
US-7622474-B2 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-7622474-B2 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-7358257-B2 sulfonylurea derivatives, sulfonylthiourea derivatives, sulfonylguanidine derivatives, sulfonylcyanoguanidine derivatives, thioacylsulfonamide derivatives, and acylsulfonamide derivatives; effective for prevention and treatment of cardiovascular diseases, antithrombotic agents PORTOLA PHARMACEUTICALS, INC. (US) 2008-04-15 US disclosed
US-7358257-B2 sulfonylurea derivatives, sulfonylthiourea derivatives, sulfonylguanidine derivatives, sulfonylcyanoguanidine derivatives, thioacylsulfonamide derivatives, and acylsulfonamide derivatives; effective for prevention and treatment of cardiovascular diseases, antithrombotic agents PORTOLA PHARMACEUTICALS, INC. (US) 2008-04-15 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 (2 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-20100234350-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 NAMPT 1845/4885KDM4E 2302/4885NPC1 3119/4885
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 NAMPT 1832/4885KDM4E 2312/4885NPC1 3099/4885

“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.