SCHEMBL5865616

SCHEMBL5865616

Cc1ccccc1-c1nc(C(F)(F)F)nn1-c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.63
PTGS1 P23219 3/20 0.52
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
GRIA2 P42262 1/20 0.46
CYP2C9 P11712 1/20 0.46
SDHB P21912 1/20 0.46
ALOX5 P09917 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
SCHEMBL5204949 0.88 PTGS2 (0.49) PTGS2PTGS1CYP2C9ALOX5
SCHEMBL5201832 0.86 PTGS2 (0.66) PTGS2PTGS1CYP2C9
SCHEMBL5865454 0.85 PTGS2 (0.62) PTGS2PTGS1CYP2C9ALOX5
SCHEMBL5205095 0.83 PTGS2 (0.54) PTGS2PTGS1CYP2C9
SCHEMBL6887276 0.83 PTGS2 (0.59) PTGS2PTGS1CYP2C9
SCHEMBL5204439 0.81 PTGS2 (0.48) PTGS2PTGS1CYP1A2CYP2D6GRIA2
SCHEMBL4671634 0.81 PTGS2 (0.69) PTGS2PTGS1CYP2C9
SCHEMBL5202438 0.80 PTGS2 (0.52) PTGS2PTGS1CYP2C9
SCHEMBL28753555 0.80 PTGS2 (0.52) PTGS2PTGS1CYP2C9
SCHEMBL4671357 0.80 PDPK1 (0.54) PTGS2PTGS1CYP2C9ALOX5

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7019144-B2 1,2,4-Triazole derivative, method for preparing the same, and pharmaceutical composition containing the same CJ CORP. (KR) 2006-03-28 US claimed
CN-1688554-A 1,2, 4-triazole derivatives, process for preparing the same and pharmaceutical composition containing the same CJ CORP (KR) 2005-10-26 CN claimed
US-20050075507-A1 1,2,4-Triazole derivative, method for preparing the same, and pharmaceutical composition containing the same CJ CHEILJEDANG CORPORATION (KR) 2005-04-07 US claimed
CN-101012203-B 1,2,4-triazol derivatives, method for preparing the same CJ CORP 2011-02-16 CN disclosed
CN-100357277-C 1,2, 4-triazole derivatives, process for preparing the same and pharmaceutical composition containing the same CJ CORP (KR) 2007-12-26 CN disclosed
CN-101012203-A 1,2,4-triazol derivatives, method for preparing the same CJ CORP (KR) 2007-08-08 CN disclosed
US-7019144-B2 1,2,4-Triazole derivative, method for preparing the same, and pharmaceutical composition containing the same CJ CORP. (KR) 2006-03-28 US disclosed
CN-1688554-A 1,2, 4-triazole derivatives, process for preparing the same and pharmaceutical composition containing the same CJ CORP (KR) 2005-10-26 CN disclosed
US-20050075507-A1 1,2,4-Triazole derivative, method for preparing the same, and pharmaceutical composition containing the same CJ CHEILJEDANG CORPORATION (KR) 2005-04-07 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-20050075507-A1 1,2,4-Triazole derivative, method for preparing the same, and pharmaceutical composition containing the same CYP4B1, CYP3A5, CYP7A1 PTGS2 1769/4885PTGS1 523/4885CYP1A2 11/4885

“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.