SCHEMBL9922652

SCHEMBL9922652

O=C(Nc1ccc(-c2coc3ccccc3c2=O)c(F)c1)NS(=O)(=O)c1ccc(Cl)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.44
MAOB P27338 13/20 0.40
FBP1 P09467 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ADORA2B P29275 3/20 0.38
MAOA P21397 2/20 0.38
CA12 O43570 4/20 0.37
CA1 P00915 4/20 0.37
CA2 P00918 3/20 0.37
CA4 P22748 3/20 0.37
CA5A P35218 3/20 0.37
CA7 P43166 3/20 0.37
CA5B Q9Y2D0 3/20 0.37
CA9 Q16790 1/20 0.37
MAPT P10636 2/20 0.36
MITF O75030 1/20 0.36
ALDH1A1 P00352 1/20 0.36
THRB P10828 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL9922624 0.91 MAOB (0.42) P2RY12MAOBFBP1MEN1KMT2A
SCHEMBL9923255 0.90 P2RY12 (0.47) P2RY12MAOBFBP1MEN1KMT2A
SCHEMBL9922951 0.87 MAOB (0.43) P2RY12MAOBFBP1MEN1KMT2A
SCHEMBL9922226 0.83 FBP1 (0.45) P2RY12MAOBFBP1MEN1KMT2A
SCHEMBL9922563 0.83 P2RY12 (0.49) P2RY12FBP1MEN1KMT2AMAOA
SCHEMBL9922655 0.83 P2RY12 (0.47) P2RY12MAOBFBP1MEN1KMT2A
SCHEMBL14228351 0.82 MAOB (0.46) MAOBADORA2BMAOACA12CA1
SCHEMBL12177435 0.81 CA12 (0.41) P2RY12MAOBMEN1KMT2ACA12
SCHEMBL9922218 0.81 P2RY12 (0.43) P2RY12MAOBFBP1MEN1KMT2A
SCHEMBL13182851 0.80 CA12 (0.43) P2RY12MAOBFBP1MEN1KMT2A

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 8 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-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

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 19/4885MAOB 3489/4885FBP1 1584/4885
US-20080194597-A1 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PIGS, GP6, ASGR1 P2RY12 89/4885MAOB 3086/4885FBP1 3837/4885
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 P2RY12 18/4885MAOB 3495/4885FBP1 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.