SCHEMBL5149149

SCHEMBL5149149

COc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(CNC(=O)CNC(=O)O)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.64
PTGS1 P23219 5/20 0.64
CYP2C9 P11712 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
TSHR P16473 1/20 0.59
CYP2C19 P33261 1/20 0.59
THPO P40225 1/20 0.59
BLM P54132 1/20 0.59
PMP22 Q01453 1/20 0.59
HIF1A Q16665 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
PTGER1 P34995 1/20 0.52
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL5148824 0.90 PTGS2 (0.67) PTGS2PTGS1CYP2C9CYP1A2CYP3A4
SCHEMBL5148913 0.89 PTGS2 (0.60) PTGS2PTGS1CYP2C9CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL5150839 0.89 PTGS2 (0.64) PTGS2PTGS1CYP2C9CYP1A2CYP3A4
SCHEMBL5151993 0.88 PTGS2 (0.70) PTGS2PTGS1CYP2C9CYP1A2CYP3A4
SCHEMBL5148567 0.87 PTGS2 (0.68) PTGS2PTGS1CYP2C9CYP1A2CYP3A4
SCHEMBL6208965 0.87 PTGS2 (0.68) PTGS2PTGS1CYP2C9CYP1A2CYP3A4
SCHEMBL5147699 0.84 PTGS2 (0.54) PTGS2PTGS1CYP2C9CYP1A2CYP3A4
SCHEMBL5152369 0.83 PTGS2 (0.67) PTGS2PTGS1CYP2C9CYP1A2CYP3A4
SCHEMBL5147887 0.83 PTGS2 (0.67) PTGS2PTGS1CYP2C9CYP1A2CYP3A4
SCHEMBL14505114 0.81 PTGS2 (0.71) PTGS2PTGS1CYP2C9CYP1A2CYP3A4

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 4 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
US-20040116475-A1 Pyrazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-17 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 1105/4885CYP2C9 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.