SCHEMBL5148783

SCHEMBL5148783

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.41
PTGS1 P23219 7/20 0.41
FABP3 P05413 1/20 0.39
FABP4 P15090 1/20 0.39
CACNA1G O43497 1/20 0.38
CACNA1H O95180 1/20 0.38
TRPV1 Q8NER1 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CG P48736 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
THPO P40225 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
HIF1A Q16665 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SLC5A1 P13866 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
SCHEMBL5152341 0.92 PTGS2 (0.41) PTGS2PTGS1FABP3FABP4CACNA1G
SCHEMBL5152288 0.91 PTGS2 (0.50) PTGS2PTGS1FABP3FABP4CYP1A2
SCHEMBL5148944 0.91 FABP4 (0.43) FABP3FABP4PIK3CAPIK3CGP2RX7
SCHEMBL5148724 0.89 BCL2 (0.45) PTGS2PTGS1FABP3FABP4PIK3CA
SCHEMBL5148760 0.88 FABP3 (0.39) FABP3FABP4PIK3CAPIK3CGP2RX7
SCHEMBL5148582 0.87 PTGS2 (0.45) PTGS2PTGS1FABP3FABP4CYP1A2
SCHEMBL5148770 0.86 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL5151982 0.86 MDM2 (0.41) FABP3FABP4PIK3CAPIK3CG
SCHEMBL5171475 0.85 RPA1 (0.42) FABP3FABP4PIK3CAPIK3CGP2RX7
SCHEMBL6540168 0.85 PTGS2 (0.44) PTGS2PTGS1CYP1A2CYP3A4CYP2C9

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
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
EP-1567503-A1 PYRAZOLE DERIVATIVES USEFUL AS COX-I INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-08-31 EP disclosed
WO-2004050632-A1 PYRAZOLE DERIVATIVES USEFUL AS COX-I INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-17 WO 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 1105/4885FABP3 3873/4885

“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.