SCHEMBL9923249

SCHEMBL9923249

O=C(Nc1ccc(N2C(=O)Cc3cc(NCCN4CCCCC4)ccc3C2=O)c(F)c1)NS(=O)(=O)c1cccs1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.37
MAPK14 Q16539 3/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
EPHX2 P34913 1/20 0.36
TERT O14746 6/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
HRH3 Q9Y5N1 3/20 0.34

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
SCHEMBL9923251 0.99 RORC (0.37) RORCMAPK14MAPK1ALDH1A1LMNA
SCHEMBL9922609 0.96 KCNH2 (0.38) RORCMAPK1ALDH1A1LMNAMEN1
SCHEMBL9922832 0.95 KCNH2 (0.37) RORCMAPK14ALDH1A1LMNAMEN1
SCHEMBL9923250 0.93 MAPK14 (0.44) MAPK14KMT2AEPHX2
SCHEMBL9923252 0.90 KMT2A (0.39) RORCMAPK14MAPK1ALDH1A1LMNA
SCHEMBL9922372 0.89 MEN1 (0.40) RORCALDH1A1LMNAMEN1KMT2A
SCHEMBL13633781 0.89 HRH3 (0.37) RORCMAPK1ALDH1A1LMNAMEN1
SCHEMBL9922836 0.89 MAPK14 (0.41) MAPK14MEN1KMT2AEPHX2
SCHEMBL9922184 0.88 MEN1 (0.40) RORCALDH1A1LMNAMEN1KMT2A
SCHEMBL9922818 0.88 PSEN1 (0.42) MAPK1ALDH1A1EPHX2TERTMAPT

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 RORC 4246/4885MAPK14 1572/4885MAPK1 1846/4885
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 RORC 4232/4885MAPK14 1546/4885MAPK1 1820/4885

“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.