SCHEMBL4136228

SCHEMBL4136228

COc1c(C(=O)NCc2ccc(S(C)(=O)=O)cc2)ccc2[nH]nc(C=Cc3ccc(F)cc3)c12

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 6/20 0.46
MAPT P10636 3/20 0.42
THRB P10828 2/20 0.42
MAPK8 P45983 4/20 0.41
MAPK9 P45984 3/20 0.41
MAPK10 P53779 3/20 0.41
RORC P51449 1/20 0.41
RXFP1 Q9HBX9 1/20 0.39
LMNA P02545 2/20 0.38
TP53 P04637 2/20 0.38
HTT P42858 1/20 0.38
MAPK1 P28482 1/20 0.37

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
SCHEMBL4136223 1.00 CCR1 (0.46) CCR1MAPTTHRBMAPK8MAPK9
SCHEMBL4152203 0.93 MAPT (0.45) MAPTTHRBRXFP1LMNATP53
SCHEMBL4152208 0.93 MAPT (0.45) MAPTTHRBRXFP1LMNATP53
SCHEMBL4156427 0.90 MAPT (0.51) MAPTTHRBRXFP1LMNATP53
SCHEMBL4156431 0.90 MAPT (0.51) MAPTTHRBRXFP1LMNATP53
SCHEMBL4148832 0.89 TP53 (0.46) MAPTTHRBLMNATP53HTT
SCHEMBL4148835 0.89 TP53 (0.46) MAPTTHRBLMNATP53HTT
SCHEMBL6428532 0.88 POLB (0.47) CCR1MAPTTHRBLMNATP53
SCHEMBL4149303 0.87 PSEN1 (0.43) MAPTTHRBLMNATP53
SCHEMBL4149306 0.87 PSEN1 (0.43) MAPTTHRBLMNATP53

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 US disclosed
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 US disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 EP 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B CCR1 536/4885MAPT 2811/4885THRB 561/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B CCR1 432/4885MAPT 3014/4885THRB 588/4885

“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.