SCHEMBL6097683

SCHEMBL6097683

Cc1nn(-c2ccc(CCNC(=O)NS(=O)(=O)c3ncccc3Cl)cc2)c(C)c1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CA1 P00915 7/20 0.43
CA2 P00918 7/20 0.43
CA4 P22748 4/20 0.43
CA7 P43166 4/20 0.43
KMT2A Q03164 1/20 0.42
NR3C1 P04150 1/20 0.42
CA12 O43570 3/20 0.42
CA9 Q16790 3/20 0.42
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTGER4 P35408 2/20 0.39
P2RX7 Q99572 1/20 0.38

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
SCHEMBL6097218 0.88 CA1 (0.56) NPC1RAB9ACA1CA2CA4
SCHEMBL6097324 0.85 CA1 (0.54) NPC1RAB9ACA1CA2CA4
SCHEMBL6097978 0.84 CA1 (0.56) NPC1RAB9ACA1CA2CA4
SCHEMBL6096333 0.84 CA1 (0.48) NPC1RAB9ACA1CA2CA4
SCHEMBL6097650 0.83 CA1 (0.47) NPC1RAB9ACA1CA2CA4
SCHEMBL6097255 0.83 CA1 (0.46) NPC1RAB9ACA1CA2CA4
SCHEMBL6097415 0.83 CA1 (0.57) NPC1RAB9ACA1CA2CA4
SCHEMBL4446913 0.83 CA1 (0.56) NPC1RAB9ACA1CA2CA4
SCHEMBL6098862 0.82 FBP1 (0.51) NPC1RAB9ACA1CA2CA4
SCHEMBL6098175 0.82 P2RX7 (0.46) NPC1RAB9ACA1CA2CA4

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 NPC1 2334/4885RAB9A 3940/4885CA1 1837/4885

“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.