SCHEMBL5201563

SCHEMBL5201563

COc1ccc(-c2nc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)nn2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.47
PTGS1 P23219 6/20 0.41
TP53 P04637 3/20 0.40
HTT P42858 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 1/20 0.40
MAPT P10636 5/20 0.38
FUBP1 Q96AE4 1/20 0.37
MAPK1 P28482 3/20 0.36
MEN1 O00255 2/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TNF P01375 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
CCR6 P51684 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
SCHEMBL5204975 0.92 PTGS2 (0.50) PTGS2PTGS1ALDH1A1
SCHEMBL5201229 0.91 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL5201570 0.91 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL5202336 0.91 TP53 (0.45) PTGS2PTGS1TP53HTTKMT2A
SCHEMBL5207139 0.86 PTGS2 (0.43) PTGS2PTGS1TP53KMT2ASMN1; SMN2
SCHEMBL5865671 0.85 PTGS2 (0.39) PTGS2PTGS1LMNATSHR
SCHEMBL5202325 0.84 PTGS2 (0.42) PTGS2PTGS1LMNATSHR
SCHEMBL5204976 0.83 PTGS2 (0.41) PTGS2PTGS1LMNATSHR
SCHEMBL5202111 0.83 PTGS2 (0.41) PTGS2PTGS1LMNATSHR
SCHEMBL5202141 0.83 PTGS2 (0.45) PTGS2PTGS1LMNATSHR

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 1769/4885PTGS1 523/4885TP53 3239/4885

“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.