SCHEMBL6097217

SCHEMBL6097217

O=C(NCCc1ccc(-n2nc(C(F)(F)F)cc2-c2ccccc2)cc1)Oc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.55
CYP2C9 P11712 1/20 0.53
PTGS2 P35354 4/20 0.52
PDPK1 O15530 4/20 0.51
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL14504548 0.83 PTGS2 (0.67) PTGS1CYP2C9PTGS2
SCHEMBL14504519 0.80 PTGS2 (0.62) PTGS1CYP2C9PTGS2
SCHEMBL6096276 0.80 NPC1 (0.46) CYP2C9MAPTPOLB
SCHEMBL6097893 0.80 TAAR1 (0.43) MAPTSMN1; SMN2POLB
SCHEMBL6097735 0.79 PTGS1 (0.70) PTGS1CYP2C9PTGS2PDPK1
SCHEMBL14504542 0.79 PTGS2 (0.67) PTGS1CYP2C9PTGS2SMN1; SMN2
SCHEMBL6097189 0.79 PTGS2 (0.51) PTGS1CYP2C9PTGS2PDPK1MAPT
SCHEMBL14505088 0.78 PTGS2 (0.65) PTGS1CYP2C9PTGS2PDPK1
SCHEMBL14505097 0.78 NR3C2 (0.58) PTGS1CYP2C9PTGS2PDPK1
SCHEMBL6097275 0.77 PTGS1 (0.70) PTGS1CYP2C9PTGS2PDPK1

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 PTGS1 2/4885CYP2C9 406/4885PTGS2 10/4885

“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.