SCHEMBL9922933

SCHEMBL9922933

O=C(Nc1ccc(-n2ccc3cc(NCC4CC4)ccc3c2=O)c(Cl)c1)NS(=O)(=O)c1ccc(Cl)s1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 5/20 0.40
NPY5R Q15761 1/20 0.38
FBP1 P09467 1/20 0.35
TP53 P04637 2/20 0.34
MAPT P10636 2/20 0.34
PSEN1 P49768 7/20 0.34
PSEN2 P49810 7/20 0.34
APH1B Q8WW43 7/20 0.34
NCSTN Q92542 7/20 0.34
APH1A Q96BI3 7/20 0.34
PSENEN Q9NZ42 7/20 0.34
SLC22A12 Q96S37 1/20 0.34
NPY2R P49146 1/20 0.33
DOT1L Q8TEK3 1/20 0.33
GSAP A4D1B5 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
SCHEMBL9922671 0.92 P2RY12 (0.43) P2RY12NPY5RFBP1TP53MAPT
SCHEMBL9922850 0.90 P2RY12 (0.44) P2RY12NPY5RFBP1TP53MAPT
SCHEMBL9922337 0.89 P2RY12 (0.43) P2RY12FBP1MAPTPSEN1PSEN2
SCHEMBL9922332 0.88 P2RY12 (0.41) P2RY12FBP1MAPTPSEN1PSEN2
SCHEMBL12177262 0.88 P2RY12 (0.44) P2RY12FBP1MAPTPSEN1PSEN2
SCHEMBL9922934 0.88 P2RY12 (0.44) P2RY12FBP1MAPTDOT1L
SCHEMBL9922922 0.87 FBP1 (0.40) P2RY12NPY5RFBP1TP53MAPT
SCHEMBL9922712 0.87 P2RY12 (0.42) P2RY12FBP1MAPTPSEN1PSEN2
SCHEMBL9923206 0.86 P2RY12 (0.39) P2RY12NPY5RFBP1TP53MAPT
SCHEMBL9922730 0.86 P2RY12 (0.48) P2RY12FBP1MAPTPSEN1PSEN2

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 10 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-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 P2RY12 19/4885NPY5R 1522/4885FBP1 1584/4885
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 P2RY12 18/4885NPY5R 1508/4885FBP1 1579/4885

“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.