SCHEMBL6097782

SCHEMBL6097782

Cc1nn(-c2ccc(CCO)cc2)c(C)c1-c1ccc(NS(C)(=O)=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
PTGS2 P35354 11/20 0.46
NR3C1 P04150 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL6096710 0.86 CYP1A2 (0.49) CYP1A2PTGS2KDM4EALDH1A1LMNA
SCHEMBL6098401 0.83 CYP1A2 (0.48) CYP1A2PTGS2NR3C1KDM4EALDH1A1
SCHEMBL6097549 0.82 CYP1A2 (0.56) CYP1A2PTGS2NR3C1KDM4EALDH1A1
SCHEMBL6096797 0.80 CYP1A2 (0.72) CYP1A2PTGS2
SCHEMBL6096492 0.80 CYP1A2 (0.54) CYP1A2PTGS2NR3C1SMN1; SMN2
SCHEMBL6098575 0.80 CYP1A2 (0.53) CYP1A2NR3C1KDM4EALDH1A1SMN1; SMN2
SCHEMBL6098897 0.78 CYP1A2 (0.52) CYP1A2PTGS2KDM4ELMNAHPGD
SCHEMBL7847086 0.76 HPGD (0.66) KDM4EALDH1A1LMNAHPGDHTT
SCHEMBL6095421 0.76 CYP1A2 (0.50) CYP1A2KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL9592749 0.75 HPGD (0.63) KDM4EALDH1A1LMNAHPGDHTT

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 CYP1A2 670/4885PTGS2 10/4885NR3C1 340/4885

“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.