SCHEMBL6094974

SCHEMBL6094974

CCc1nn(-c2ccc(CCO)cc2)c(C)c1I

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.38
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
NR3C1 P04150 1/20 0.34
CA2 P00918 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NOTUM Q6P988 1/20 0.33
POLB P06746 1/20 0.32
KHK P50053 2/20 0.32
CYP1A2 P05177 1/20 0.32
PDE4D Q08499 1/20 0.32

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
SCHEMBL6096325 0.84 RAB9A (0.40) PTGS2NR3C1CA2NPC1RAB9A
SCHEMBL6096475 0.79 GCGR (0.40) PTGS2NR3C1NPC1RAB9AALDH1A1
SCHEMBL6096155 0.77 NPC1 (0.49) PTGS2NR3C1NPC1RAB9ACYP1A2
SCHEMBL6097521 0.72 KMT2A (0.57) PTGS2NR3C1NPC1RAB9AALDH1A1
SCHEMBL6094963 0.71 NPC1 (0.48) PTGS2NR3C1CA2NPC1RAB9A
SCHEMBL6099458 0.71 MAPT (0.49) PTGS2CYP4F2CYP4A11CA2MAPK1
SCHEMBL6110847 0.70 NPC1 (0.47) PTGS2NR3C1CA2NPC1RAB9A
SCHEMBL6097494 0.70 HSD11B1 (0.44) NR3C1CYP1A2PDE4D
SCHEMBL6095737 0.69 CYP1A2 (0.45) NPC1RAB9AALDH1A1L3MBTL1CYP1A2
SCHEMBL6098089 0.68 MAPT (0.50) ALDH1A1L3MBTL1POLB

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 10/4885CYP4F2 1473/4885CYP4A11 364/4885

“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.