SCHEMBL5205073

SCHEMBL5205073

CN(C)c1ccc(-c2nc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.50
PTGS1 P23219 6/20 0.50
CHRNA7 P36544 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
PTGES O14684 1/20 0.38
HDAC3 O15379 1/20 0.38
PDPK1 O15530 1/20 0.38
CA12 O43570 1/20 0.38
PDE5A O76074 1/20 0.38
ABCB11 O95342 1/20 0.38
MT-CO2 P00403 1/20 0.38
LMNA P02545 1/20 0.38
CA3 P07451 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX5 P09917 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
ADRB3 P13945 1/20 0.38

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
SCHEMBL5239817 0.90 PTGS2 (0.52) PTGS2PTGS1
SCHEMBL5207409 0.89 PTGS2 (0.49) PTGS2PTGS1CHRNA7CA1CA2
SCHEMBL5207661 0.87 KIF11 (0.49) PTGS2PTGS1CHRNA7CA1CA2
SCHEMBL5865304 0.87 PTGS1 (0.46) PTGS2PTGS1CHRNA7CA1CA2
SCHEMBL5205172 0.87 PTGS2 (0.49) PTGS2PTGS1CHRNA7CA1CA2
SCHEMBL5205167 0.86 PDPK1 (0.49) PTGS2PTGS1CHRNA7CA1CA2
SCHEMBL5239915 0.86 PTGS2 (0.50) PTGS2PTGS1CHRNA7CA1CA2
SCHEMBL5207586 0.86 PTGS2 (0.47) PTGS2PTGS1CHRNA7CA1CA2
SCHEMBL5204581 0.85 PTGS2 (0.48) PTGS2PTGS1CHRNA7PDPK1
SCHEMBL5865452 0.85 PTGS1 (0.50) PTGS2PTGS1CHRNA7CA1CA2

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 523/4885CHRNA7 3826/4885

“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.