SCHEMBL5865455

SCHEMBL5865455

NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)nc2C2CCCCC2)nn1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.33
CA2 P00918 4/20 0.33
CA12 O43570 2/20 0.33
CA9 Q16790 2/20 0.33
PTGS2 P35354 6/20 0.32
PTGS1 P23219 4/20 0.31
TLR8 Q9NR97 1/20 0.31
HRH1 P35367 1/20 0.31
PDE10A Q9Y233 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
SCHEMBL5865446 0.89 TLR8 (0.38) PTGS2PTGS1TLR8PDE10A
SCHEMBL5202752 0.83
SCHEMBL5865536 0.81 CA1 (0.39) CA1CA2CA12CA9
SCHEMBL27630218 0.81 CA1 (0.34) CA1CA2CA12CA9PTGS2
SCHEMBL5865496 0.78 CA1 (0.48) CA1CA2CA12CA9PTGS2
SCHEMBL6959431 0.77 CA1 (0.47) CA1CA2CA12CA9PTGS2
SCHEMBL5865512 0.75
SCHEMBL6969710 0.74 PTGS2 (0.44) CA1CA2CA12CA9PTGS2
SCHEMBL5204951 0.74 PTGS2 (0.41) CA1CA2CA12CA9PTGS2
SCHEMBL5202746 0.74 PTGS2 (0.44) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1688554-A 1,2, 4-triazole derivatives, process for preparing the same and pharmaceutical composition containing the same CJ CORP (KR) 2005-10-26 CN claimed
CN-101012203-B 1,2,4-triazol derivatives, method for preparing the same CJ CORP 2011-02-16 CN disclosed
CN-100357277-C 1,2, 4-triazole derivatives, process for preparing the same and pharmaceutical composition containing the same CJ CORP (KR) 2007-12-26 CN disclosed
CN-101012203-A 1,2,4-triazol derivatives, method for preparing the same CJ CORP (KR) 2007-08-08 CN 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
CN-1688554-A 1,2, 4-triazole derivatives, process for preparing the same and pharmaceutical composition containing the same CJ CORP (KR) 2005-10-26 CN 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

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 CA1 1852/4885CA2 993/4885CA12 3729/4885

“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.