SCHEMBL6096538

SCHEMBL6096538

Cc1nn(-c2ccc(CCNC(=O)NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc2)c(C)c1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.48
CA2 P00918 9/20 0.48
CA12 O43570 4/20 0.48
CA9 Q16790 4/20 0.48
CA4 P22748 5/20 0.46
CA7 P43166 5/20 0.46
PTGER4 P35408 2/20 0.45
EPHX2 P34913 4/20 0.45
PTGS2 P35354 3/20 0.45
AKR1C3 P42330 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPY5R Q15761 1/20 0.43
PLAAT3 P53816 1/20 0.42
PLAAT5 Q96KN8 1/20 0.42
PLAAT2 Q9NWW9 1/20 0.42
PLAAT4 Q9UL19 1/20 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
SCHEMBL6096770 0.94 CA1 (0.47) CA1CA2CA12CA9CA4
SCHEMBL6098510 0.92 CA1 (0.48) CA1CA2CA12CA9CA4
SCHEMBL6097324 0.91 CA1 (0.54) CA1CA2CA12CA9CA4
SCHEMBL6098443 0.91 CA1 (0.56) CA1CA2CA12CA9CA4
SCHEMBL4446913 0.90 CA1 (0.56) CA1CA2CA12CA9CA4
SCHEMBL6097878 0.90 CA1 (0.51) CA1CA2CA12CA9CA4
SCHEMBL6097215 0.90 CA1 (0.51) CA1CA2CA12CA9CA4
SCHEMBL6096333 0.90 CA1 (0.48) CA1CA2CA12CA9CA4
SCHEMBL6098289 0.90 PTGER4 (0.51) CA1CA2CA12CA9CA4
SCHEMBL6097812 0.89 CA1 (0.48) CA1CA2CA12CA9CA4

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-7001917-B2 Pyrazole compounds as anti-inflammatory and analgesic agents WARNER LAMBERT COMPANY LLC (US) 2006-02-21 US disclosed
EP-1495005-A1 PYRAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS Pfizer Japan Inc. (JP) 2005-01-12 EP disclosed
US-20040019045-A1 2-(4-(4-(4-Fluorophenyl)-3,5-imethyl-1H-pyrazol-1-yl)phenyl) ethyl (4-methylphenyl)sulfonylcarbamate ammonium salt, e.g., as an antagonist for Prostoglandin E receptor; analgesics; antipyretics; antiinflammatory agents HIRANO MISATO (JP) 2004-01-29 US disclosed
WO-2003087061-A1 PYRAZOLE COMPOUNDS AS ANTI-INFLAMMATORY AND ANALGESIC AGENTS PFIZER JAPAN INC. (JP) 2003-10-23 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-20040019045-A1 2-(4-(4-(4-Fluorophenyl)-3,5-imethyl-1H-pyrazol-1-yl)phenyl) ethyl (4-methylphenyl)sulfonylcarbamate ammonium salt, e.g., as an antagonist for Prostoglandin E receptor; analgesics; antipyretics; antiinflammatory agents PTGER1, PTGS1, PTGIR CA1 1837/4885CA2 230/4885CA12 2871/4885

“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.