SCHEMBL5148689

SCHEMBL5148689

COc1ccc(-n2nc(C(F)(F)F)c(C)c2-c2ccc(O)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.51
PTGS1 P23219 7/20 0.51
F10 P00742 6/20 0.45
CYP1A2 P05177 3/20 0.44
CYP2C9 P11712 3/20 0.44
ESR2 Q92731 2/20 0.44
CYP3A4 P08684 2/20 0.44
TSHR P16473 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ESR1 P03372 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP2C19 P33261 2/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
THPO P40225 1/20 0.44

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
SCHEMBL5150789 0.86 PTGS2 (0.44) PTGS2PTGS1F10CYP1A2CYP2C9
SCHEMBL5147825 0.86 PTGS2 (0.48) PTGS2PTGS1F10CYP1A2CYP2C9
SCHEMBL5148978 0.83 PTGS2 (0.46) PTGS2PTGS1F10ALDH1A1MAPT
SCHEMBL6341956 0.82 PTGS2 (0.76) PTGS2PTGS1F10
SCHEMBL5148799 0.82 PTGS2 (0.49) PTGS2PTGS1F10CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL5417976 0.82 PTGS2 (0.48) PTGS2PTGS1F10CYP1A2CYP2C9
SCHEMBL5149166 0.80 PTGS2 (0.45) PTGS2PTGS1F10CYP1A2CYP2C9
SCHEMBL5148681 0.78 PTGS2 (0.43) PTGS2PTGS1F10CYP1A2CYP2C9
SCHEMBL5148697 0.78 PTGS2 (0.46) PTGS2PTGS1F10
SCHEMBL6681240 0.77 PTGS2 (0.60) PTGS2PTGS1CYP1A2CYP2C9ESR2

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 6 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
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 1105/4885F10 2700/4885

“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.