SCHEMBL6098852

SCHEMBL6098852

OCCc1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
CA9 Q16790 3/20 0.52
USP8 P40818 1/20 0.50
CYP2C9 P11712 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
MMP2 P08253 1/20 0.46
CACNA1G O43497 1/20 0.46
CACNA1H O95180 1/20 0.46
RPA1 P27694 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
PTGS2 P35354 1/20 0.45
FABP3 P05413 2/20 0.44
FABP4 P15090 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CNR1 P21554 1/20 0.44

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
SCHEMBL6096458 0.84 NPC1 (0.68) CA1CA2CA9CYP2C9CACNA1G
SCHEMBL6096142 0.84 SMN1; SMN2 (0.46) CA1CA2CA9CYP2C9NPC1
SCHEMBL6100051 0.82 USP8 (0.52) USP8CYP2C9MMP2RPA1NPC1
SCHEMBL16432877 0.81 CYP2C9 (0.62) CA1CA2CA9USP8CYP2C9
SCHEMBL10038494 0.81 CYP2C9 (0.62) CA1CA2CA9USP8CYP2C9
SCHEMBL6097735 0.81 PTGS1 (0.70) CYP2C9PTGS2
SCHEMBL1198398 0.81 RAB9A (0.65) USP8CYP2C9MMP2RPA1NPC1
SCHEMBL3852411 0.80 RAB9A (0.62) USP8CYP2C9MMP2RPA1NPC1
SCHEMBL28330616 0.78 RAB9A (0.55) USP8CYP2C9MMP2RPA1NPC1
SCHEMBL3857283 0.78 RAB9A (0.61) USP8CYP2C9MMP2RPA1NPC1

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 230/4885CA9 1762/4885

“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.