SCHEMBL9922864

SCHEMBL9922864

O=C(Nc1ccc(-n2ccc3cc4[nH]cnc4cc3c2=O)nc1)NS(=O)(=O)c1ccc(F)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.37
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDR P35968 2/20 0.32
EPHB4 P54760 2/20 0.32
TEK Q02763 2/20 0.32
EGFR P00533 1/20 0.32
PDGFRB P09619 1/20 0.32
KIT P10721 1/20 0.32
FGFR1 P11362 1/20 0.32
FLT1 P17948 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
MELK Q14680 1/20 0.32
FBP1 P09467 1/20 0.31
PIK3CA P42336 1/20 0.30
MTOR P42345 1/20 0.30

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
SCHEMBL9922866 0.97 P2RY12 (0.37) P2RY12POLBHTTSMN1; SMN2KDR
SCHEMBL9922844 0.92 P2RY12 (0.42) P2RY12SMN1; SMN2KITCA12CA1
SCHEMBL14113530 0.91 P2RY12 (0.35) P2RY12POLBHTTSMN1; SMN2KDR
SCHEMBL9923112 0.88 P2RY12 (0.42) P2RY12POLBHTTSMN1; SMN2KIT
SCHEMBL13638697 0.88 P2RY12 (0.35) P2RY12POLBHTTSMN1; SMN2KIT
SCHEMBL12161634 0.84 P2RY12 (0.36) P2RY12CA12CA1CA2CA9
SCHEMBL9922862 0.84 CHRM5 (0.34) P2RY12CA12CA1CA2CA9
SCHEMBL9922874 0.83 P2RY12 (0.34) P2RY12SMN1; SMN2CA12CA1CA2
SCHEMBL13633797 0.82 P2RY12 (0.35) P2RY12CA12CA1CA2CA9
SCHEMBL9922863 0.82 P2RY12 (0.35) P2RY12SMN1; SMN2CA12CA1CA2

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 6 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-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 (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 18/4885POLB 4509/4885HTT 1055/4885

“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.