SCHEMBL6097511

SCHEMBL6097511

Nc1c(-c2ccccc2)c(C(F)(F)F)nn1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(F)cc2F)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.45
CA2 P00918 9/20 0.45
CA4 P22748 5/20 0.45
CA7 P43166 5/20 0.45
CA12 O43570 4/20 0.40
CA9 Q16790 4/20 0.40
PIK3CA P42336 2/20 0.39
PTGS2 P35354 5/20 0.37
EPHX2 P34913 4/20 0.37
AKR1C3 P42330 1/20 0.37
NR3C2 P08235 1/20 0.37
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
PTGER4 P35408 1/20 0.35
MAPT P10636 1/20 0.35
PTGS1 P23219 1/20 0.35

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
SCHEMBL4446732 0.91 CA1 (0.45) CA1CA2CA4CA7CA12
SCHEMBL6096145 0.83 CA1 (0.52) CA1CA2CA4CA7CA12
SCHEMBL4450517 0.82 CA1 (0.47) CA1CA2CA4CA7CA12
SCHEMBL4457171 0.82 CA1 (0.44) CA1CA2CA4CA7CA12
SCHEMBL6097893 0.76 TAAR1 (0.43) CA1CA2CA4CA7EPHX2
SCHEMBL6097158 0.75 CA1 (0.51) CA1CA2CA4CA7CA12
SCHEMBL6097546 0.75 CA1 (0.41) CA1CA2CA4CA7CA12
SCHEMBL6098175 0.75 P2RX7 (0.46) CA1CA2CA4CA7CA12
SCHEMBL6098312 0.74 CA1 (0.43) CA1CA2CA4CA7CA12
SCHEMBL6096735 0.74 CA1 (0.52) CA1CA2CA4CA7CA12

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 230/4885CA4 1429/4885

“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.