SCHEMBL9922944

SCHEMBL9922944

O=C(Nc1ccc(-n2cnc3cc(NCC4CC4)ccc3c2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 2/20 0.42
FBP1 P09467 1/20 0.36
CHRM5 P08912 1/20 0.35
GSAP A4D1B5 1/20 0.34
SLC22A12 Q96S37 1/20 0.34
APP P05067 1/20 0.33
PSEN1 P49768 6/20 0.33
PSEN2 P49810 6/20 0.33
APH1B Q8WW43 6/20 0.33
NCSTN Q92542 6/20 0.33
APH1A Q96BI3 6/20 0.33
PSENEN Q9NZ42 6/20 0.33
F10 P00742 2/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
GCK P35557 1/20 0.32
HTR6 P50406 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
SCHEMBL9923206 0.93 P2RY12 (0.39) P2RY12FBP1CHRM5SLC22A12PSEN1
SCHEMBL13638539 0.92 P2RY12 (0.35) P2RY12TP53MAPTGCK
SCHEMBL9923188 0.90 P2RY12 (0.46) P2RY12FBP1CHRM5PSEN1PSEN2
SCHEMBL13633837 0.90 P2RY12 (0.40) P2RY12FBP1CHRM5GSAPSLC22A12
SCHEMBL9923184 0.89 P2RY12 (0.44) P2RY12FBP1CHRM5GSAPSLC22A12
SCHEMBL9922946 0.89 P2RY12 (0.46) P2RY12FBP1PSEN1PSEN2APH1B
SCHEMBL9922132 0.89 P2RY12 (0.43) P2RY12FBP1CHRM5SLC22A12PSEN1
SCHEMBL12161337 0.88 P2RY12 (0.43) P2RY12FBP1CHRM5APPF10
SCHEMBL9922543 0.87 FBP1 (0.40) P2RY12FBP1CHRM5GSAPSLC22A12
SCHEMBL9923178 0.87 P2RY12 (0.43) P2RY12FBP1PSEN1PSEN2APH1B

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
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-20080194597-A1 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2008-08-14 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-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 (3 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 19/4885FBP1 1584/4885CHRM5 4324/4885
US-20080194597-A1 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PIGS, GP6, ASGR1 P2RY12 89/4885FBP1 3837/4885CHRM5 3601/4885
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 P2RY12 18/4885FBP1 1579/4885CHRM5 4317/4885

“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.