SCHEMBL9922600

SCHEMBL9922600

O=C(Nc1ccc(-n2ccc3cc4ncsc4cc3c2=O)cc1)NS(=O)(=O)c1cc(Cl)c(Cl)s1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.41
CHRM5 P08912 3/20 0.36
P2RY12 Q9H244 1/20 0.36
GRM1 Q13255 3/20 0.35
PTGER3 P43115 8/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
HSD11B1 P28845 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
FBP1 P09467 1/20 0.34
GRM5 P41594 1/20 0.33
PTGER1 P34995 1/20 0.32
PTGER4 P35408 1/20 0.32
PTGER2 P43116 1/20 0.32
PTGIR P43119 1/20 0.32

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
SCHEMBL9922268 0.89 P2RY12 (0.45) CHRM5P2RY12GRM1NPC1RAB9A
SCHEMBL12161548 0.85 P2RY12 (0.36) P2RY12PTGER3NPC1RAB9AFBP1
SCHEMBL9922602 0.85 P2RY12 (0.39) P2RY12PTGER3FBP1PTGER1PTGER4
SCHEMBL9922599 0.83 P2RY12 (0.39) P2RY12PTGER3FBP1PTGER1PTGER4
SCHEMBL12161005 0.81 CHRM5 (0.46) CHRM5P2RY12HSD11B1FBP1
SCHEMBL9922603 0.80 P2RY12 (0.39) P2RY12PTGER3MEN1KMT2APTGER1
SCHEMBL9922843 0.80 CHRM5 (0.43) CHRM5P2RY12NPC1RAB9AHSD11B1
SCHEMBL12177267 0.80 CHRM5 (0.38) CHRM5P2RY12GRM1HSD11B1
SCHEMBL9922809 0.78 P2RY12 (0.44) CHRM5P2RY12NPC1HSD11B1MEN1
SCHEMBL9922778 0.77 P2RY12 (0.37) P2RY12PTGER3NPC1RAB9AFBP1

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 IKBKB 1966/4885CHRM5 4324/4885P2RY12 19/4885
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 IKBKB 1981/4885CHRM5 4317/4885P2RY12 18/4885

“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.