SCHEMBL6098136

SCHEMBL6098136

Cc1c(-c2ccccc2)c(C(F)(F)F)nn1-c1ccc(CCO)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.42
GRIA2 P42262 2/20 0.42
CYP2C9 P11712 1/20 0.42
POLB P06746 3/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 1/20 0.40
PTGS2 P35354 5/20 0.39
LMNA P02545 2/20 0.39
PTGS1 P23219 2/20 0.37
NR3C1 P04150 1/20 0.37
GLA P06280 1/20 0.36

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
SCHEMBL6095734 0.89 CYP1A2 (0.38) ALDH1A1MEN1KMT2ACYP1A2PTGS2
SCHEMBL6096303 0.88 CYP1A2 (0.45) CYP2C19GRIA2CYP2C9POLBALDH1A1
SCHEMBL6096869 0.85 POLB (0.51) CYP2C19GRIA2CYP2C9POLBALDH1A1
SCHEMBL6095952 0.85 POLB (0.44) CYP2C19GRIA2CYP2C9POLBALDH1A1
SCHEMBL6098575 0.83 CYP1A2 (0.53) POLBALDH1A1KDM4ECYP1A2NR3C1
SCHEMBL6094995 0.81 PTGS2 (0.41) CYP2C19GRIA2CYP2C9POLBALDH1A1
SCHEMBL6096475 0.80 GCGR (0.40) ALDH1A1MEN1KMT2AL3MBTL1CYP1A2
SCHEMBL6097606 0.80 MAPT (0.40) CYP2C19GRIA2CYP2C9CYP1A2PTGS2
SCHEMBL6096276 0.79 NPC1 (0.46) CYP2C19GRIA2CYP2C9POLBKMT2A
SCHEMBL6097494 0.77 HSD11B1 (0.44) CYP1A2NR3C1

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 2 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
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 CYP2C19 221/4885GRIA2 1084/4885CYP2C9 406/4885

“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.