SCHEMBL5865485

SCHEMBL5865485

Cc1ccc(-c2nc(C(F)(F)F)nn2-c2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.64
CYP2C9 P11712 2/20 0.64
PTGS1 P23219 10/20 0.62
PDPK1 O15530 2/20 0.50
PTGES O14684 1/20 0.50
HDAC3 O15379 1/20 0.50
CA12 O43570 1/20 0.50
PDE5A O76074 1/20 0.50
ABCB11 O95342 1/20 0.50
MT-CO2 P00403 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
LMNA P02545 1/20 0.50
CA3 P07451 1/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX5 P09917 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
CYP2D6 P10635 1/20 0.50
ADRB3 P13945 1/20 0.50
ALOX15 P16050 1/20 0.50

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
SCHEMBL6887276 0.96 PTGS2 (0.59) PTGS2CYP2C9PTGS1
SCHEMBL5203055 0.91 PTGS2 (0.62) PTGS2CYP2C9PTGS1
SCHEMBL6884047 0.91 PTGS2 (0.62) PTGS2CYP2C9PTGS1
SCHEMBL5205021 0.91 PTGS2 (0.57) PTGS2CYP2C9PTGS1
SCHEMBL5204574 0.90 PTGS2 (0.63) PTGS2CYP2C9PTGS1
SCHEMBL5236686 0.90 PTGS2 (0.53) PTGS2CYP2C9PTGS1
SCHEMBL6885219 0.90 PTGS2 (0.57) PTGS2CYP2C9PTGS1
SCHEMBL6884935 0.90 PTGS2 (0.53) PTGS2CYP2C9PTGS1
SCHEMBL6880090 0.90 PTGS2 (0.53) PTGS2CYP2C9PTGS1ALOX5
SCHEMBL5202252 0.90 PTGS2 (0.53) PTGS2CYP2C9PTGS1ALOX5

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 1769/4885CYP2C9 14/4885PTGS1 523/4885

“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.