SCHEMBL5148765

SCHEMBL5148765

OCCc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.76
PTGS1 P23219 6/20 0.76
CYP2C9 P11712 2/20 0.63
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
TSHR P16473 1/20 0.63
CYP2C19 P33261 1/20 0.63
THPO P40225 1/20 0.63
BLM P54132 1/20 0.63
PMP22 Q01453 1/20 0.63
HIF1A Q16665 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
PDPK1 O15530 6/20 0.61

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
SCHEMBL14504436 0.89 PTGS2 (0.61) PTGS2PTGS1CYP2C9PDPK1
SCHEMBL14504439 0.88 PTGS2 (0.63) PTGS2PTGS1CYP2C9CYP3A4TSHR
SCHEMBL5148869 0.88 PTGS2 (0.76) PTGS2PTGS1CYP2C9CYP1A2CYP3A4
SCHEMBL6097735 0.88 PTGS1 (0.70) PTGS2PTGS1CYP2C9PDPK1
SCHEMBL7113078 0.87 PTGS2 (1.00) PTGS2PTGS1CYP2C9CYP1A2CYP3A4
SCHEMBL6096982 0.86 PTGS2 (0.61) PTGS2PTGS1CYP2C9PDPK1
SCHEMBL5148789 0.86 PTGS2 (0.56) PTGS2PTGS1CYP2C9PDPK1
SCHEMBL27531781 0.85 PTGS2 (0.61) PTGS2PTGS1CYP2C9PDPK1
SCHEMBL14504406 0.85 PTGS2 (0.77) PTGS2PTGS1CYP2C9CYP1A2CYP3A4
SCHEMBL27531784 0.84 PTGS2 (0.75) PTGS2PTGS1CYP2C9PDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100482647-C Pyrazole derivatives useful as COX-I inhibitors ASTELLAS PHARMACY CO LTD (JP) 2009-04-29 CN disclosed
US-20070112037-A1 Pyrazole Derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2007-05-17 US disclosed
US-20070112037-A1 Pyrazole Derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2007-05-17 US 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
US-7183306-B2 Pyrazole derivatives ASTELLAS PHARMA INC. (JP) 2007-02-27 US disclosed
US-7183306-B2 Pyrazole derivatives ASTELLAS PHARMA INC. (JP) 2007-02-27 US disclosed
CN-1717393-A Pyrazole derivatives as COX-1 inhibitors FUJISAWA PHARMACEUTICAL CO (JP) 2006-01-04 CN disclosed
EP-1567503-A1 PYRAZOLE DERIVATIVES USEFUL AS COX-I INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-08-31 EP disclosed
US-20040116475-A1 Pyrazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-17 US 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 1105/4885CYP2C9 55/4885

“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.