SCHEMBL9922389

SCHEMBL9922389

O=C(Nc1ccc(N2C(=O)Cc3cc(N4CCCC4)ccc3C2=O)c(F)c1)NS(=O)(=O)c1cccs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.43
LMNA P02545 5/20 0.43
HPGD P15428 2/20 0.43
RORC P51449 1/20 0.39
KMT2A Q03164 7/20 0.37
ALDH1A1 P00352 6/20 0.37
MEN1 O00255 6/20 0.37
GAA P10253 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
MAPK1 P28482 2/20 0.36
USP2 O75604 1/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 4/20 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
SCHEMBL14228354 0.89 KMT2A (0.39) MAPTLMNAHPGDRORCKMT2A
SCHEMBL9922959 0.88 PTGER3 (0.41) MAPTLMNAHPGDRORCKMT2A
SCHEMBL9922960 0.88 KMT2A (0.40) MAPTLMNAHPGDRORCKMT2A
SCHEMBL9922950 0.88 KMT2A (0.43) MAPTLMNAHPGDRORCKMT2A
SCHEMBL9923251 0.87 RORC (0.37) MAPTLMNAHPGDRORCKMT2A
SCHEMBL9922272 0.87 P2RY12 (0.44) MAPTLMNAKMT2AALDH1A1MEN1
SCHEMBL9923249 0.87 RORC (0.37) MAPTLMNAHPGDRORCKMT2A
SCHEMBL9922964 0.87 KCNA1 (0.41) MAPTLMNAHPGDKMT2AALDH1A1
SCHEMBL9922383 0.86 KMT2A (0.41) MAPTLMNAHPGDRORCKMT2A
SCHEMBL9922832 0.86 KCNH2 (0.37) LMNAHPGDRORCKMT2AALDH1A1

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 MAPT 4832/4885LMNA 3576/4885HPGD 1774/4885
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 MAPT 4832/4885LMNA 3603/4885HPGD 1763/4885

“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.