SCHEMBL6097443

SCHEMBL6097443

CCc1c(C)nn(-c2ccc(CCN(C(=O)O)S(=O)(=O)c3ccc(C)cc3)cc2)c1C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.42
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
PTGER4 P35408 1/20 0.40
TAS2R14 Q9NYV8 2/20 0.39
TSHR P16473 1/20 0.39
POLB P06746 2/20 0.39
CNR1 P21554 1/20 0.39
MAPT P10636 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C18 P33260 1/20 0.38
CYP2C19 P33261 1/20 0.38
TP53 P04637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AR P10275 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
SCHEMBL6097754 0.92 CNR2 (0.49) CNR2RAB9ANPC1TAS2R14TSHR
SCHEMBL4443171 0.84 CNR2 (0.45) CNR2RAB9ANPC1TAS2R14POLB
SCHEMBL4444967 0.82 CYP1A2 (0.53) CNR2TAS2R14CNR1TP53LMNA
SCHEMBL1626001 0.79 PTGER4 (0.65) CNR2PTGER4TAS2R14POLBCNR1
SCHEMBL6096840 0.79 CNR2 (0.48) CNR2RAB9ANPC1TAS2R14POLB
SCHEMBL6099551 0.79 HTT (0.47) CNR2POLBMAPTTP53ALDH1A1
SCHEMBL6097834 0.78 CNR2 (0.49) CNR2TAS2R14POLBCNR1CYP2C8
SCHEMBL1625994 0.77 PTGER4 (0.47) CNR2PTGER4TAS2R14POLBCNR1
SCHEMBL7014542 0.76 CNR2 (0.68) CNR2TAS2R14TSHRPOLBCNR1
SCHEMBL6833587 0.75 CNR2 (0.44) CNR2TAS2R14POLBCNR1MAPT

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 claimed
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 claimed
US-7001917-B2 Pyrazole compounds as anti-inflammatory and analgesic agents WARNER LAMBERT COMPANY LLC (US) 2006-02-21 US 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

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 CNR2 235/4885RAB9A 3940/4885NPC1 2334/4885

“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.