SCHEMBL6098320

SCHEMBL6098320

COc1cccc(S(=O)(=O)NC(=O)NCCc2ccc(-n3nc(C)c(-c4ccccc4)c3C)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.53
CA2 P00918 6/20 0.53
CA4 P22748 5/20 0.53
CA7 P43166 5/20 0.53
KMT2A Q03164 1/20 0.46
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PTGER4 P35408 2/20 0.43
KDM4E B2RXH2 1/20 0.42
AKR1C3 P42330 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MALT1 Q9UDY8 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2B6 P20813 1/20 0.41

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
SCHEMBL4450999 0.92 CA1 (0.58) CA1CA2CA4CA7KMT2A
SCHEMBL6097942 0.91 FBP1 (0.52) CA1CA2CA12CA9NPC1
SCHEMBL6097324 0.90 CA1 (0.54) CA1CA2CA4CA7CA12
SCHEMBL6098417 0.90 CA1 (0.46) CA1CA2CA4CA7CA12
SCHEMBL4453035 0.89 CA1 (0.56) CA1CA2CA4CA7CA12
SCHEMBL6095094 0.89 CA1 (0.55) CA1CA2CA4CA7CA12
SCHEMBL6098862 0.89 FBP1 (0.51) CA1CA2CA4CA7CA12
SCHEMBL6096087 0.89 CA1 (0.47) CA1CA2CA4CA7CA12
SCHEMBL6098895 0.88 CA1 (0.46) CA1CA2CA4CA7CA12
SCHEMBL6096217 0.87 CA1 (0.43) 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.