SCHEMBL5148844

SCHEMBL5148844

CC(C)(C)OC(=O)NCCOc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc3c(c2)OCO3)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.48
PTGS1 P23219 2/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TRPV1 Q8NER1 3/20 0.42

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
SCHEMBL5147903 0.89 PTGS2 (0.52) PTGS2PTGS1NPC1RAB9ATRPV1
SCHEMBL5152237 0.88 PTGS2 (0.53) PTGS2PTGS1NPC1RAB9ATRPV1
SCHEMBL14504518 0.86 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL5149087 0.86 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL14504886 0.82 PTGS2 (0.49) PTGS2PTGS1CA12CA1CA2
SCHEMBL14504663 0.81 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL5147766 0.81 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL14504724 0.78 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL5148958 0.78 PTGS2 (0.49) PTGS2PTGS1CA12CA1CA2
SCHEMBL5147835 0.77 PTGS2 (0.55) PTGS2PTGS1

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
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 1105/4885CA12 4737/4885

“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.