Sugi Predict

Sugi Predict / Compounds / SCHEMBL9923009

SCHEMBL9923009

SCHEMBL9923009

CNc1ccc2c(=O)n(-c3c(F)cc(NC(=O)NCc4ccc(Cl)s4)cc3C(F)(F)F)c(=O)[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 1/20 0.44
▸ AR P10275 1/20 0.38
▸ SCD O00767 2/20 0.35
▸ IDO1 P14902 3/20 0.34
▸ UTS2R Q9UKP6 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.33
▸ ERCC1 P07992 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ ERCC4 Q92889 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CA9 Q16790 3/20 0.33
▸ CA12 O43570 1/20 0.33
▸ PRKAB2 O43741 1/20 0.33
▸ PRKAG1 P54619 1/20 0.33
▸ PRKAA2 P54646 1/20 0.33
▸ PRKAA1 Q13131 1/20 0.33
▸ PRKAG3 Q9UGI9 1/20 0.33
▸ PRKAG2 Q9UGJ0 1/20 0.33
▸ PRKAB1 Q9Y478 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
SCHEMBL9923010 0.93 P2RY12 (0.48) P2RY12IDO1HSP90AA1ERCC1FEN1
SCHEMBL12161680 0.91 P2RY12 (0.46) P2RY12IDO1HSP90AA1ERCC1FEN1
SCHEMBL9923011 0.89 P2RY12 (0.45) P2RY12IDO1HSP90AA1ERCC1FEN1
SCHEMBL12177358 0.89 P2RY12 (0.44) P2RY12IDO1HSP90AA1ERCC1FEN1
SCHEMBL9923275 0.88 P2RY12 (0.44) P2RY12ARSCDIDO1UTS2R
SCHEMBL13158911 0.87 P2RY12 (0.37) P2RY12SCDIDO1UTS2RHSP90AA1
SCHEMBL9923013 0.86 P2RY12 (0.49) P2RY12IDO1HSP90AA1ERCC1FEN1
SCHEMBL9923174 0.85 P2RY12 (0.62) P2RY12ARTRPV1ERCC1FEN1
SCHEMBL13182836 0.85 P2RY12 (0.40) P2RY12IDO1HSP90AA1ERCC1FEN1
SCHEMBL9923012 0.83 P2RY12 (0.45) P2RY12IDO1HSP90AA1ERCC1FEN1

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-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-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 19/4885AR 1502/4885SCD 1268/4885
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 P2RY12 18/4885AR 1461/4885SCD 1249/4885

“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.