SCHEMBL9922609

SCHEMBL9922609

O=C(Nc1ccc(N2C(=O)Cc3cc(NCCCN4CCCCC4)ccc3C2=O)c(F)c1)NS(=O)(=O)c1cccs1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.38
CHRNA7 P36544 5/20 0.38
HRH3 Q9Y5N1 8/20 0.36
RORC P51449 1/20 0.36
HTR3A P46098 1/20 0.36
MAPK1 P28482 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
TERT O14746 2/20 0.35

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
SCHEMBL9922832 0.99 KCNH2 (0.37) KCNH2CHRNA7HRH3RORCHTR3A
SCHEMBL9923249 0.96 RORC (0.37) HRH3RORCMAPK1MEN1ALDH1A1
SCHEMBL9923251 0.95 RORC (0.37) RORCMAPK1MEN1ALDH1A1LMNA
SCHEMBL9922836 0.93 MAPK14 (0.41) KCNH2CHRNA7MEN1KMT2A
SCHEMBL13633781 0.90 HRH3 (0.37) KCNH2HRH3RORCHTR3AMAPK1
SCHEMBL9923250 0.89 MAPK14 (0.44) KMT2A
SCHEMBL9923252 0.88 KMT2A (0.39) RORCMAPK1MEN1ALDH1A1LMNA
SCHEMBL9922582 0.88 HRH3 (0.37) KCNH2CHRNA7HRH3MAPK1ALDH1A1
SCHEMBL12160870 0.88 PSEN1 (0.41) KCNH2CHRNA7HRH3MAPK1KMT2A
SCHEMBL9922372 0.88 MEN1 (0.40) RORCMEN1ALDH1A1LMNAKMT2A

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-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 KCNH2 1036/4885CHRNA7 3517/4885HRH3 1906/4885
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 KCNH2 1064/4885CHRNA7 3465/4885HRH3 1858/4885

“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.