SCHEMBL9922753

SCHEMBL9922753

O=C(Nc1cc(Cl)c(N2C(=O)c3ccccc3C2=O)c(C(F)(F)F)c1)NS(=O)(=O)c1ccc(Cl)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.40
FBP1 P09467 1/20 0.40
P2RY12 Q9H244 1/20 0.39
MAPT P10636 4/20 0.38
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA7 P43166 3/20 0.37
CA9 Q16790 3/20 0.37
PGAM1 P18669 1/20 0.37
KDR P35968 1/20 0.36
MEN1 O00255 3/20 0.36
LMNA P02545 3/20 0.36
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HTT P42858 2/20 0.36
RECQL P46063 2/20 0.36
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
BACE1 P56817 1/20 0.35
APP P05067 1/20 0.35

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
SCHEMBL2587247 0.91 FBP1 (0.45) PPARGFBP1P2RY12MAPTPGAM1
SCHEMBL1548402 0.86 GRM1 (0.49) PPARGFBP1P2RY12MAPTCA1
SCHEMBL9919134 0.86 FBP1 (0.41) FBP1P2RY12MAPTCA1CA9
SCHEMBL1548521 0.83 FBP1 (0.43) FBP1P2RY12MAPTCA1CA9
SCHEMBL1548173 0.81 GRM4 (0.53) FBP1P2RY12GRM1GRM4
SCHEMBL1548300 0.81 P2RY12 (0.41) PPARGFBP1P2RY12MAPTPGAM1
SCHEMBL14113665 0.79 FBP1 (0.40) FBP1P2RY12MAPTPGAM1MEN1
SCHEMBL12177222 0.79 GRM1 (0.40) FBP1MAPTCA1CA2CA9
SCHEMBL1548436 0.78 SCN2A (0.50) FBP1P2RY12MAPTCA1CA2
SCHEMBL9920074 0.78 POLB (0.45) FBP1P2RY12MAPTPGAM1MEN1

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 13 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-20110212983-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
US-20100234350-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2010-09-16 US disclosed
US-7678790-B2 Platelet ADP receptor inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-03-16 US disclosed
US-7678790-B2 Platelet ADP receptor inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-03-16 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-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-20070155719-A1 Platelet ADP receptor inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2007-07-05 US disclosed
US-20070155719-A1 Platelet ADP receptor inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2007-07-05 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 (5 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 PPARG 312/4885FBP1 1584/4885P2RY12 19/4885
US-20080194597-A1 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PIGS, GP6, ASGR1 PPARG 344/4885FBP1 3837/4885P2RY12 89/4885
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 PPARG 301/4885FBP1 1579/4885P2RY12 18/4885
US-20070155719-A1 Platelet ADP receptor inhibitors GP6, P2RY6, PIGS PPARG 292/4885FBP1 1337/4885P2RY12 16/4885
US-20110212983-A1 PLATELET ADP RECEPTOR INHIBITORS GP6, P2RY6, PIGS PPARG 292/4885FBP1 1337/4885P2RY12 16/4885

“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.