SCHEMBL5151978

SCHEMBL5151978

COc1ccc(-n2nc(OCC(F)(F)F)cc2-c2ccc(OCCNC(N)=O)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.48
PTGS1 P23219 7/20 0.48
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
THPO P40225 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
HIF1A Q16665 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MALT1 Q9UDY8 1/20 0.42
FABP3 P05413 1/20 0.42
FABP4 P15090 1/20 0.42
CHRNA7 P36544 1/20 0.42
RPA1 P27694 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL5152288 0.92 PTGS2 (0.50) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL5152341 0.91 PTGS2 (0.41) PTGS2PTGS1MALT1FABP3FABP4
SCHEMBL5152203 0.90 MALT1 (0.47) PTGS2PTGS1MALT1FABP3FABP4
SCHEMBL5148781 0.89 BCL2 (0.47) PTGS2PTGS1MALT1FABP3FABP4
SCHEMBL5148645 0.88 MALT1 (0.47) PTGS2PTGS1MALT1FABP3FABP4
SCHEMBL5150503 0.88 PTGS2 (0.65) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL5147861 0.88 PTGS2 (0.65) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL5150845 0.87 PTGS2 (0.43) PTGS2PTGS1MALT1FABP3FABP4
SCHEMBL5148641 0.85 PTGS2 (0.57) PTGS2PTGS1CYP1A2CYP3A4CYP2C9
SCHEMBL5147838 0.85 CHRNA7 (0.44) PTGS2MALT1FABP3FABP4CHRNA7

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 1105/4885CYP1A2 6/4885

“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.