SCHEMBL5205284

SCHEMBL5205284

CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)nc2C2=CCCCC2)cn1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.41
GRIA2 P42262 4/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
PSMB5 P28074 2/20 0.31
PSMB1 P20618 1/20 0.31
CYP2C9 P11712 1/20 0.30
CASP3 P42574 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30
GCK P35557 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL5203677 0.90 PTGS2 (0.48) PTGS2GRIA2CASP3SENP8SENP7
SCHEMBL5202343 0.85 PTGS2 (0.52) PTGS2GRIA2CYP1A2CYP2D6CYP2C9
SCHEMBL5207043 0.82 PTGS2 (0.38) PTGS2GRIA2CYP1A2CYP2D6
SCHEMBL5204760 0.79 PTGS2 (0.41) PTGS2
SCHEMBL5201734 0.78 PTGS2 (0.66) PTGS2CYP2D6CYP2C9
SCHEMBL5205075 0.78 PTGS2 (0.46) PTGS2
SCHEMBL5865711 0.78 PTGS2 (0.46) PTGS2CYP2D6CYP2C9
SCHEMBL5202342 0.77 PTGS2 (0.46) PTGS2
SCHEMBL5207141 0.76 PTGS2 (0.40) PTGS2CYP2C9
SCHEMBL5203972 0.76 PTGS2 (0.47) PTGS2

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 5 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 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
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 1769/4885GRIA2 2265/4885CYP1A2 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.