SCHEMBL5205075

SCHEMBL5205075

CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)nc2-c2ccccc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.46
PTGS1 P23219 5/20 0.40
KMT2A Q03164 2/20 0.39
ALOX5 P09917 1/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
S1PR4 O95977 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
S1PR1 P21453 1/20 0.36
SDHB P21912 1/20 0.36
MAPK1 P28482 1/20 0.36
STAT3 P40763 1/20 0.36
STAT1 P42224 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 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
SCHEMBL5865711 0.91 PTGS2 (0.46) PTGS2PTGS1ALOX5LMNASDHB
SCHEMBL5202342 0.89 PTGS2 (0.46) PTGS2PTGS1SMN1; SMN2LMNASTAT3
SCHEMBL5203972 0.88 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL5207141 0.88 PTGS2 (0.40) PTGS2PTGS1ALOX5
SCHEMBL5204764 0.88 PTGS2 (0.46) PTGS2PTGS1KMT2A
SCHEMBL5204387 0.86 PTGS2 (0.52) PTGS2PTGS1KMT2ASMN1; SMN2TP53
SCHEMBL5205848 0.85 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL5201828 0.84 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL5204753 0.83 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL5201894 0.83 PTGS2 (0.42) PTGS2PTGS1LMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539718-A4 1,2,4-TRIAZOLE DERIVATIVE, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME CJ CORP (KR) 2007-08-01 EP 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
EP-1539718-A1 1,2,4-TRIAZOLE DERIVATIVE, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME CJ Corporation (KR) 2005-06-15 EP claimed
WO-2004014878-A1 1,2,4-TRIAZOLE DERIVATIVE, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME CJ CORPORATION (KR) 2004-02-19 WO 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
EP-1539718-A4 1,2,4-TRIAZOLE DERIVATIVE, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME CJ CORP (KR) 2007-08-01 EP 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
EP-1539718-A1 1,2,4-TRIAZOLE DERIVATIVE, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME CJ Corporation (KR) 2005-06-15 EP 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
WO-2004014878-A1 1,2,4-TRIAZOLE DERIVATIVE, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME CJ CORPORATION (KR) 2004-02-19 WO 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 523/4885KMT2A 2661/4885

“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.