SCHEMBL6097189

SCHEMBL6097189

O=C(NCCc1ccc(-n2nc(C(F)(F)F)cc2-c2ccccc2)cc1)NS(=O)(=O)c1ccncc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.51
PTGS1 P23219 2/20 0.51
PDPK1 O15530 6/20 0.50
CYP2C9 P11712 1/20 0.50
EPHX2 P34913 2/20 0.47
AKR1C3 P42330 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL6097205 0.91 PTGS2 (0.52) PTGS2PTGS1PDPK1CYP2C9EPHX2
SCHEMBL6097217 0.79 PTGS1 (0.55) PTGS2PTGS1PDPK1CYP2C9MAPT
SCHEMBL6096333 0.79 CA1 (0.48) CA12CA1CA2CA9MAPT
SCHEMBL6099805 0.77 CA1 (0.46) CA12CA1CA2CA9
SCHEMBL6096538 0.76 CA1 (0.48) PTGS2EPHX2AKR1C3CA12CA1
SCHEMBL4246189 0.75 PTGS2 (0.56) PTGS2PTGS1CYP2C9EPHX2MAPT
SCHEMBL6097735 0.74 PTGS1 (0.70) PTGS2PTGS1PDPK1CYP2C9
SCHEMBL6097074 0.74 PTGS2 (0.61) PTGS2PTGS1PDPK1CYP2C9
SCHEMBL6096982 0.73 PTGS2 (0.61) PTGS2PTGS1PDPK1CYP2C9
SCHEMBL6096735 0.73 CA1 (0.52) CA12CA1CA2CA9MAPT

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 PTGS2 10/4885PTGS1 2/4885PDPK1 3822/4885

“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.