SCHEMBL5207906

SCHEMBL5207906

CCOc1ccc(-c2nc(C(F)(F)F)nn2-c2ccc(SC)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.49
PTGS1 P23219 7/20 0.49
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
CACNA2D1 P54289 4/20 0.40
HPGD P15428 1/20 0.39
ALPL P05186 1/20 0.38
ALPI P09923 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL14857230 0.88 PTGS2 (0.53) PTGS2PTGS1SMN1; SMN2CACNA2D1HPGD
SCHEMBL5204715 0.87 PTGS2 (0.58) PTGS2PTGS1CYP1A2CYP2C19
SCHEMBL6885231 0.87 PTGS2 (0.58) PTGS2PTGS1CYP1A2CYP2C19
SCHEMBL5865601 0.84 PTGS2 (0.44) PTGS2PTGS1SMN1; SMN2NPC1LMNA
SCHEMBL1115324 0.84 PTGS2 (0.43) PTGS2PTGS1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL5203782 0.82 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL6885807 0.82 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL5201440 0.82 PTGS2 (0.49) PTGS2PTGS1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL5865600 0.82 PTGS2 (0.43) PTGS2PTGS1LMNA
SCHEMBL5865561 0.81 PTGS1 (0.42) PTGS2PTGS1SMN1; SMN2HPGDKDM4E

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 523/4885CYP1A2 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.