SCHEMBL5148697

SCHEMBL5148697

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

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.46
PTGS1 P23219 2/20 0.46
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
F10 P00742 10/20 0.41
NPC1 O15118 1/20 0.40
MALT1 Q9UDY8 1/20 0.40

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
SCHEMBL5149166 0.92 PTGS2 (0.45) PTGS2PTGS1MTNR1AMTNR1BF10
SCHEMBL5147825 0.85 PTGS2 (0.48) PTGS2PTGS1F10
SCHEMBL5148799 0.84 PTGS2 (0.49) PTGS2PTGS1F10
SCHEMBL5148863 0.84 PTGS2 (0.48) PTGS2PTGS1F10
Hydrochloric Acid SCHEMBL5417976 0.83 PTGS2 (0.48) PTGS2PTGS1F10
SCHEMBL6687282 0.81 PTGS2 (0.53) PTGS2PTGS1MTNR1AMTNR1BL3MBTL1
SCHEMBL5150503 0.80 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL5147861 0.80 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL5148837 0.79 MTNR1A (0.46) PTGS2MTNR1AMTNR1BL3MBTL1NPC1
SCHEMBL5148689 0.78 PTGS2 (0.51) PTGS2PTGS1F10

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 1105/4885MTNR1A 884/4885

“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.