SCHEMBL9922203

SCHEMBL9922203

CNc1ccc2c(c1)CC(=O)N(c1ccc(NC(=O)NS(=O)(=O)c3cc(Cl)c(Cl)s3)cc1)C2=O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.40
PTGER3 P43115 14/20 0.38
KCNA1 Q09470 2/20 0.34
KCNAB1 Q14722 2/20 0.34
GRM1 Q13255 1/20 0.34
TLR9 Q9NR96 2/20 0.33
HSP90AA1 P07900 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL9922192 0.91 PTGER3 (0.44) P2RY12PTGER3KCNA1KCNAB1
SCHEMBL9922376 0.90 P2RY12 (0.42) P2RY12PTGER3MEN1GAAKMT2A
SCHEMBL9922189 0.90 KMT2A (0.45) P2RY12PTGER3KCNA1KCNAB1MEN1
SCHEMBL9922808 0.89 PTGER3 (0.38) P2RY12PTGER3MEN1KMT2A
SCHEMBL9922365 0.89 PTGER3 (0.40) PTGER3MEN1GAAKMT2A
SCHEMBL9922069 0.89 P2RY12 (0.49) P2RY12KCNA1KCNAB1TLR9HSP90AA1
SCHEMBL9922197 0.89 PTGER3 (0.44) P2RY12PTGER3KCNA1KCNAB1
SCHEMBL9922207 0.89 CASP6 (0.44) PTGER3GRM1TLR9MEN1GAA
SCHEMBL12177283 0.88 PTGER3 (0.38) P2RY12PTGER3KCNA1KCNAB1
SCHEMBL9922807 0.88 P2RY12 (0.40) P2RY12PTGER3MEN1GAAKMT2A

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 8 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-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 P2RY12 19/4885PTGER3 97/4885KCNA1 1233/4885
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 P2RY12 18/4885PTGER3 97/4885KCNA1 1257/4885

“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.