SCHEMBL5152341

SCHEMBL5152341

COc1ccc(-n2nc(OCC(F)(F)F)cc2-c2ccc(OCCNC(N)=O)cc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.41
PTGS1 P23219 5/20 0.39
CACNA1G O43497 1/20 0.38
CACNA1H O95180 1/20 0.38
TRPV1 Q8NER1 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CG P48736 1/20 0.36
FABP3 P05413 1/20 0.36
FABP4 P15090 1/20 0.36
SLC5A1 P13866 1/20 0.36
MALT1 Q9UDY8 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
SCHEMBL5148783 0.92 PTGS2 (0.41) PTGS2PTGS1CACNA1GCACNA1HTRPV1
SCHEMBL5151978 0.91 PTGS2 (0.48) PTGS2PTGS1FABP3FABP4MALT1
SCHEMBL5147693 0.91 MALT1 (0.41) PTGS2PTGS1PIK3CAPIK3CGFABP3
SCHEMBL14504717 0.90 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL5148807 0.90 BCL2 (0.42) PTGS2PTGS1PIK3CAPIK3CGFABP3
SCHEMBL5148888 0.88 PIK3CA (0.36) PTGS2PTGS1PIK3CAPIK3CGFABP3
SCHEMBL5148582 0.86 PTGS2 (0.45) PTGS2PTGS1FABP3FABP4
SCHEMBL5152083 0.86 MDM2 (0.39) PIK3CAPIK3CGFABP3FABP4MALT1
SCHEMBL6540168 0.86 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL5148770 0.85 PTGS2 (0.44) PTGS2PTGS1MALT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567503-B1 PYRAZOLE DERIVATIVES USEFUL AS COX-I INHIBITORS ASTELLAS PHARMA INC (JP) 2011-12-21 EP disclosed
US-20070112037-A1 Pyrazole Derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2007-05-17 US disclosed
US-7183306-B2 Pyrazole derivatives ASTELLAS PHARMA INC. (JP) 2007-02-27 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 (1 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-20070112037-A1 Pyrazole Derivatives CYP11B2, CYP11B1, CYP3A43 PTGS2 1780/4885PTGS1 1105/4885CACNA1G 1371/4885

“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.