SCHEMBL9922599

SCHEMBL9922599

O=C(Nc1ccc(-n2ccc3cc4[nH]cnc4cc3c2=O)cc1)NS(=O)(=O)c1cc(Cl)c(Cl)s1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.39
PTGER3 P43115 14/20 0.34
PTGER1 P34995 1/20 0.33
PTGER4 P35408 1/20 0.33
PTGER2 P43116 1/20 0.33
PTGIR P43119 1/20 0.33
FBP1 P09467 1/20 0.33
KIT P10721 1/20 0.33
LGALS8 O00214 3/20 0.33
LGALS3 P17931 3/20 0.33
LGALS1 P09382 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
SCHEMBL9922602 0.97 P2RY12 (0.39) P2RY12PTGER3PTGER1PTGER4PTGER2
SCHEMBL9922792 0.90 P2RY12 (0.48) P2RY12PTGER3FBP1KIT
SCHEMBL9922262 0.86 P2RY12 (0.48) P2RY12PTGER3FBP1KIT
SCHEMBL9922600 0.83 IKBKB (0.41) P2RY12PTGER3PTGER1PTGER4PTGER2
SCHEMBL12161548 0.82 P2RY12 (0.36) P2RY12PTGER3PTGER1PTGER4PTGER2
SCHEMBL12161004 0.81 P2RY12 (0.43) P2RY12FBP1KIT
SCHEMBL9922844 0.80 P2RY12 (0.42) P2RY12PTGER3FBP1KIT
SCHEMBL12177235 0.80 P2RY12 (0.37) P2RY12KIT
SCHEMBL9922603 0.80 P2RY12 (0.39) P2RY12PTGER3PTGER1PTGER4PTGER2
SCHEMBL9922077 0.79 P2RY12 (0.47) P2RY12FBP1KIT

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 4 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-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 (1 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-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 P2RY12 18/4885PTGER3 97/4885PTGER1 25/4885

“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.