SCHEMBL9922497

SCHEMBL9922497

CNc1cc2[nH]c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)c(=O)c2cc1Cl

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 2/20 0.76
CA12 O43570 3/20 0.35
CA9 Q16790 3/20 0.35
FBP1 P09467 1/20 0.35
MEN1 O00255 7/20 0.34
KMT2A Q03164 7/20 0.34
MAPT P10636 5/20 0.34
SMN1; SMN2 Q16637 5/20 0.34
LMNA P02545 4/20 0.34
HTT P42858 4/20 0.34
ALDH1A1 P00352 2/20 0.34
RECQL P46063 2/20 0.33
GAA P10253 1/20 0.31
POLB P06746 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
F10 P00742 3/20 0.31

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
SCHEMBL9922528 0.93 P2RY12 (0.72) P2RY12CA12CA9FBP1MEN1
SCHEMBL9922511 0.92 P2RY12 (0.74) P2RY12CA12CA9FBP1MEN1
SCHEMBL9922891 0.90 P2RY12 (0.70) P2RY12CA12CA9FBP1MEN1
SCHEMBL9922648 0.88 P2RY12 (0.85) P2RY12CA12CA9FBP1MEN1
Elinogrel SCHEMBL31722301 0.87 P2RY12 (1.00) P2RY12CA12CA9FBP1MEN1
Elinogrel SCHEMBL160663 0.87 P2RY12 (1.00) P2RY12CA12CA9FBP1MEN1
SCHEMBL9923121 0.86 P2RY12 (0.65) P2RY12CA12CA9FBP1MEN1
SCHEMBL9923122 0.86 P2RY12 (0.65) P2RY12CA12CA9FBP1MEN1
SCHEMBL9923128 0.86 P2RY12 (0.65) P2RY12CA12CA9FBP1MEN1
SCHEMBL9922529 0.86 P2RY12 (0.69) P2RY12CA12CA9FBP1MEN1

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 12 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-20080194597-A1 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2008-08-14 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
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 (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-20100234350-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 P2RY12 19/4885CA12 4625/4885CA9 1968/4885
US-20080194597-A1 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PIGS, GP6, ASGR1 P2RY12 89/4885CA12 4701/4885CA9 1451/4885
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 P2RY12 18/4885CA12 4616/4885CA9 1974/4885

“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.