SCHEMBL4674149

SCHEMBL4674149

NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)nc2-c2ccc3ccccc3c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 8/20 0.69
CA1 P00915 6/20 0.55
CA2 P00918 6/20 0.55
CA9 Q16790 6/20 0.55
PTGS2 P35354 7/20 0.53
PTGS1 P23219 6/20 0.53
CA4 P22748 2/20 0.51
CYP2C9 P11712 2/20 0.51
PTGES O14684 1/20 0.51
HDAC3 O15379 1/20 0.51
CA12 O43570 1/20 0.51
PDE5A O76074 1/20 0.51
ABCB11 O95342 1/20 0.51
MT-CO2 P00403 1/20 0.51
LMNA P02545 1/20 0.51
CA3 P07451 1/20 0.51
CYP3A4 P08684 1/20 0.51
ALOX5 P09917 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
CYP2D6 P10635 1/20 0.51

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
SCHEMBL4671357 0.88 PDPK1 (0.54) PDPK1PTGS2PTGS1CYP2C9ALOX5
SCHEMBL5205129 0.87 PTGS2 (0.62) PDPK1CA1CA2PTGS2PTGS1
SCHEMBL5202832 0.85 PTGS2 (0.65) PDPK1CA1CA2CA9PTGS2
SCHEMBL5204541 0.85 PTGS2 (0.55) PDPK1CA1CA2CA9PTGS2
SCHEMBL5204127 0.85 PTGS2 (0.70) PDPK1CA1CA2CA9PTGS2
SCHEMBL6958517 0.84 PTGS2 (0.67) PDPK1CA1CA2CA9PTGS2
SCHEMBL5207432 0.84 PTGS2 (0.56) PDPK1PTGS2PTGS1CYP2C9
SCHEMBL5205228 0.84 PTGS2 (0.67) PDPK1CA1CA2CA9PTGS2
SCHEMBL28869838 0.84 PDPK1 (0.45) PDPK1PTGS1LMNA
SCHEMBL5204716 0.83 PTGS2 (0.62) PDPK1CA1CA2CA9PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1565456-B1 1,2,4-TRIAZOLE DERIVATIVE, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME CJ CHEILJEDANG CORP (KR) 2008-10-01 EP claimed
EP-1565456-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
US-7230010-B2 1,2,4-triazole derivative, method for preparing the same, and pharmaceutical composition containing the same CJ CORP. (KR) 2007-06-12 US claimed
EP-1565456-A1 1,2,4-TRIAZOLE DERIVATIVE, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME CJ Corporation (KR) 2005-08-24 EP claimed
WO-2004048367-A1 1,2,4-TRIAZOLE DERIVATIVE, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME CJ CORPORATION (KR) 2004-06-10 WO claimed
US-20040106612-A1 1,2,4-Triazole derivative, method for preparing the same, and pharmaceutical composition containing the same CJ CHEILJEDANG CORPORATION (KR) 2004-06-03 US claimed
EP-1565456-B1 1,2,4-TRIAZOLE DERIVATIVE, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME CJ CHEILJEDANG CORP (KR) 2008-10-01 EP disclosed
EP-1565456-B1 1,2,4-TRIAZOLE DERIVATIVE, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME CJ CHEILJEDANG CORP (KR) 2008-10-01 EP disclosed
EP-1565456-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-7230010-B2 1,2,4-triazole derivative, method for preparing the same, and pharmaceutical composition containing the same CJ CORP. (KR) 2007-06-12 US disclosed
US-7230010-B2 1,2,4-triazole derivative, method for preparing the same, and pharmaceutical composition containing the same CJ CORP. (KR) 2007-06-12 US disclosed
EP-1565456-A1 1,2,4-TRIAZOLE DERIVATIVE, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME CJ Corporation (KR) 2005-08-24 EP disclosed
WO-2004048367-A1 1,2,4-TRIAZOLE DERIVATIVE, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME CJ CORPORATION (KR) 2004-06-10 WO disclosed
US-20040106612-A1 1,2,4-Triazole derivative, method for preparing the same, and pharmaceutical composition containing the same CJ CHEILJEDANG CORPORATION (KR) 2004-06-03 US 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-20040106612-A1 1,2,4-Triazole derivative, method for preparing the same, and pharmaceutical composition containing the same NAT1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP1B1 PDPK1 1298/4885CA1 3112/4885CA2 555/4885

“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.