SCHEMBL9922904

SCHEMBL9922904

COc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)s4)cc3F)c(C)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.49
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
GAA P10253 1/20 0.37
GLA P06280 1/20 0.37
POLB P06746 2/20 0.37
LMNA P02545 4/20 0.37
MAPT P10636 4/20 0.37
ALDH1A1 P00352 2/20 0.37
GALR3 O60755 1/20 0.37
FBP1 P09467 1/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RECQL P46063 1/20 0.36
PTPN2 P17706 2/20 0.36
PTPN1 P18031 2/20 0.36
PTPN5 P54829 2/20 0.36
NOD1 Q9Y239 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
SCHEMBL9922757 0.94 P2RY12 (0.49) P2RY12AKR1C3AKR1C2MEN1KMT2A
SCHEMBL12177248 0.93 P2RY12 (0.40) P2RY12MEN1KMT2AGAAGLA
SCHEMBL9922901 0.91 P2RY12 (0.51) P2RY12MEN1KMT2AGLAPOLB
SCHEMBL9922893 0.90 P2RY12 (0.54) P2RY12MEN1KMT2AGLAMAPT
SCHEMBL9922167 0.88 P2RY12 (0.52) P2RY12GLAPOLBLMNAMAPT
SCHEMBL9922939 0.88 P2RY12 (0.54) P2RY12AKR1C3AKR1C2MEN1KMT2A
SCHEMBL9923200 0.88 P2RY12 (0.49) P2RY12MEN1KMT2AGLALMNA
SCHEMBL9923213 0.88 P2RY12 (0.49) P2RY12MEN1KMT2AGLAMAPT
SCHEMBL12177276 0.88 P2RY12 (0.40) P2RY12MEN1KMT2AGLAPOLB
SCHEMBL9923240 0.87 P2RY12 (0.48) P2RY12MEN1KMT2AGLAMAPT

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 9 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-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

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 19/4885AKR1C3 3004/4885AKR1C2 2192/4885
US-20080194597-A1 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PIGS, GP6, ASGR1 P2RY12 89/4885AKR1C3 3709/4885AKR1C2 2739/4885
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 P2RY12 18/4885AKR1C3 2979/4885AKR1C2 2192/4885

“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.