SCHEMBL9922922

SCHEMBL9922922

O=C(Nc1ccc(-n2ccc3cc(NCC4CC4)ccc3c2=O)nc1)NS(=O)(=O)c1ccc(Cl)s1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.40
P2RY12 Q9H244 10/20 0.38
MET P08581 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
GSAP A4D1B5 1/20 0.34
HTR6 P50406 1/20 0.33
PSEN1 P49768 3/20 0.33
PSEN2 P49810 3/20 0.33
APH1B Q8WW43 3/20 0.33
NCSTN Q92542 3/20 0.33
APH1A Q96BI3 3/20 0.33
PSENEN Q9NZ42 3/20 0.33
NPY5R Q15761 1/20 0.33
SLC22A12 Q96S37 1/20 0.32

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
SCHEMBL9922496 0.89 FBP1 (0.42) FBP1P2RY12MAPTHTR6
SCHEMBL9922850 0.89 P2RY12 (0.44) FBP1P2RY12TP53MAPTHTR6
SCHEMBL9922725 0.88 FBP1 (0.41) FBP1P2RY12MAPTGSAPPSEN1
SCHEMBL9922543 0.88 FBP1 (0.40) FBP1P2RY12METTP53MAPT
SCHEMBL12177637 0.88 P2RY12 (0.42) FBP1P2RY12MAPTGSAP
SCHEMBL9922923 0.88 P2RY12 (0.42) FBP1P2RY12MAPTHTR6
SCHEMBL9922719 0.87 FBP1 (0.40) FBP1P2RY12MAPTGSAPPSEN1
SCHEMBL9922933 0.87 P2RY12 (0.40) FBP1P2RY12TP53MAPTGSAP
SCHEMBL9922690 0.86 P2RY12 (0.46) FBP1P2RY12MAPT
SCHEMBL9922703 0.86 FBP1 (0.45) FBP1P2RY12MAPT

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2314593-B1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARM INC (US) 2016-05-04 EP disclosed
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-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 (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 FBP1 1584/4885P2RY12 19/4885MET 3094/4885
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 FBP1 1579/4885P2RY12 18/4885MET 3048/4885

“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.