SCHEMBL2585888

SCHEMBL2585888

O=C(Nc1ccc(-n2c(=O)[nH]c3ccccc3c2=O)cc1)NS(=O)(=O)c1ccccc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.46
GAA P10253 2/20 0.42
NPC1 O15118 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TP53 P04637 3/20 0.40
NAMPT P43490 3/20 0.39
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
KDM4E B2RXH2 2/20 0.39
SLC22A12 Q96S37 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
PPARG P37231 1/20 0.38
MAPT P10636 3/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.37
LMNA P02545 2/20 0.37
MAPK10 P53779 1/20 0.36

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
SCHEMBL1548080 0.85 TP53 (0.50) P2RY12GAANPC1SMN1; SMN2TP53
SCHEMBL1548442 0.85 P2RY12 (0.46) P2RY12GAANPC1SMN1; SMN2TP53
SCHEMBL1548537 0.83 PPARG (0.49) P2RY12GAANPC1SMN1; SMN2TP53
SCHEMBL1548184 0.83 P2RY12 (0.46) P2RY12GAANPC1SMN1; SMN2TP53
SCHEMBL1548036 0.82 TP53 (0.51) P2RY12GAANPC1SMN1; SMN2TP53
SCHEMBL14417200 0.81 GAA (0.52) P2RY12GAANPC1SMN1; SMN2TP53
SCHEMBL1548876 0.80 PPARG (0.57) P2RY12GAANPC1SMN1; SMN2TP53
SCHEMBL1548182 0.80 P2RY12 (0.49) P2RY12GAANPC1SMN1; SMN2TP53
SCHEMBL2590531 0.79 P2RY12 (0.51) P2RY12GAANPC1SMN1; SMN2TP53
SCHEMBL9922813 0.77 P2RY12 (0.69) P2RY12GAANPC1SMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140221405-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2014-08-07 US disclosed
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-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-20080194597-A1 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2008-08-14 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
EP-1412364-B1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARM INC (US) 2006-09-13 EP disclosed
US-20060194795-A1 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) 2006-08-31 US disclosed
US-7056926-B2 Platelet ADP receptor inhibitors PORTOLA PHARMACEUTICALS INC. (US) 2006-06-06 US disclosed
US-20050228029-A1 sulfonylurea derivatives, sulfonylthiourea derivatives, sulfonylguanidine derivatives, sulfonylcyanoguanidine derivatives, thioacylsulfonamide derivatives, and acylsulfonamide derivatives; effective for prevention and treatment of cardiovascular diseases, particularly those diseases related to thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2005-10-13 US disclosed
US-6906063-B2 Platelet ADP receptor inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2005-06-14 US disclosed
US-20020077486-A1 For therapy and prophylaxis of thrombosis in a mammal ALEXION PHARMACEUTICALS, INC. 2002-06-20 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 (7 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 P2RY12 19/4885GAA 2005/4885NPC1 3119/4885
US-20080194597-A1 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PIGS, GP6, ASGR1 P2RY12 89/4885GAA 760/4885NPC1 3164/4885
US-20050228029-A1 sulfonylurea derivatives, sulfonylthiourea derivatives, sulfonylguanidine derivatives, sulfonylcyanoguanidine derivatives, thioacylsulfonamide derivatives, and acylsulfonamide derivatives; effective for prevention and treatment of cardiovascular diseases, particularly those diseases related to thrombosis PIGS, ABCC9, TBXA2R P2RY12 53/4885GAA 1376/4885NPC1 2207/4885
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 P2RY12 18/4885GAA 1991/4885NPC1 3099/4885
US-20020077486-A1 For therapy and prophylaxis of thrombosis in a mammal PIGS, TBXA2R, GP6 P2RY12 69/4885GAA 1521/4885NPC1 2542/4885
US-20060194795-A1 sulfonylurea derivatives, sulfonylthiourea derivatives, sulfonylguanidine derivatives, sulfonylcyanoguanidine derivatives, thioacylsulfonamide derivatives, and acylsulfonamide derivatives; effective for prevention and treatment of cardiovascular diseases, antithrombotic agents PIGS, ABCC9, TBXA2R P2RY12 69/4885GAA 1344/4885NPC1 2177/4885
US-20140221405-A1 PLATELET ADP RECEPTOR INHIBITORS PTAFR, ADGRF1, P2RY6 P2RY12 21/4885GAA 3130/4885NPC1 4103/4885

“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.