SCHEMBL6097124

SCHEMBL6097124

CS(=O)(=O)OCCc1ccc(-n2nc(C(F)(F)F)cc2-c2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.67
PTGS1 P23219 4/20 0.60
PDPK1 O15530 6/20 0.59
CYP2C9 P11712 1/20 0.54

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
SCHEMBL14504475 0.91 PTGS2 (0.67) PTGS2PTGS1PDPK1CYP2C9
SCHEMBL14574112 0.91 PTGS2 (0.67) PTGS2PTGS1PDPK1CYP2C9
SCHEMBL5148855 0.90 PTGS2 (0.63) PTGS2PTGS1PDPK1CYP2C9
SCHEMBL14504453 0.89 PTGS2 (0.68) PTGS2PTGS1PDPK1CYP2C9
SCHEMBL14505123 0.83 PDPK1 (0.51) PTGS2PTGS1PDPK1CYP2C9
SCHEMBL14504472 0.83 PTGS2 (0.65) PTGS2PTGS1PDPK1CYP2C9
SCHEMBL8610309 0.81 PTGS2 (1.00) PTGS2PTGS1PDPK1CYP2C9
SCHEMBL6097074 0.80 PTGS2 (0.61) PTGS2PTGS1PDPK1CYP2C9
SCHEMBL6097735 0.79 PTGS1 (0.70) PTGS2PTGS1PDPK1CYP2C9
SCHEMBL6097275 0.79 PTGS1 (0.70) PTGS2PTGS1PDPK1CYP2C9

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.