SCHEMBL4248049

SCHEMBL4248049

CCOc1nc(-c2ccc(F)cc2)n(-c2ccc(S(N)(=O)=O)cc2)n1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.59
CA1 P00915 4/20 0.56
CA2 P00918 4/20 0.56
CHRNA7 P36544 3/20 0.56
CA4 P22748 2/20 0.56
CA9 Q16790 1/20 0.56
PTGS1 P23219 5/20 0.50
KDR P35968 1/20 0.49
CA7 P43166 1/20 0.49
MALT1 Q9UDY8 1/20 0.48

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
SCHEMBL4250920 0.91 PTGS2 (0.52) PTGS2CA1CA2CHRNA7CA4
SCHEMBL3355646 0.88 PTGS2 (0.57) PTGS2CA1CA2CA4CA9
SCHEMBL4245103 0.88 PTGS2 (0.60) PTGS2CA1CA2CHRNA7CA4
SCHEMBL3359120 0.87 PTGS2 (0.58) PTGS2CA1CA2CHRNA7CA4
SCHEMBL4245256 0.87 PTGS2 (0.60) PTGS2CA1CA2CHRNA7CA4
SCHEMBL3353886 0.86 PTGS2 (0.51) PTGS2CA1CA2CHRNA7CA4
SCHEMBL4247517 0.86 PTGS2 (0.51) PTGS2CA1CA2CHRNA7CA4
SCHEMBL3358257 0.86 PTGS2 (0.52) PTGS2CA1CA2CHRNA7CA4
SCHEMBL3354450 0.84 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL4246273 0.84 PTGS2 (0.54) PTGS2CA1CA2CHRNA7CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7473700-B2 1,2,4-triazole derivatives, processes for the preparation thereof, and pharmaceutical compositions containing the same CJ CORPORATION (KR) 2009-01-06 US claimed
US-20060074118-A1 1, 2, 4 - Triazole derivatives, processes for the preparation thereof, and pharmaceutical compositions containing the same CJ CORPORATION (JP) 2006-04-06 US claimed
US-7473700-B2 1,2,4-triazole derivatives, processes for the preparation thereof, and pharmaceutical compositions containing the same CJ CORPORATION (KR) 2009-01-06 US disclosed
US-7473700-B2 1,2,4-triazole derivatives, processes for the preparation thereof, and pharmaceutical compositions containing the same CJ CORPORATION (KR) 2009-01-06 US disclosed
US-7473700-B2 1,2,4-triazole derivatives, processes for the preparation thereof, and pharmaceutical compositions containing the same CJ CORPORATION (KR) 2009-01-06 US disclosed
US-20060074118-A1 1, 2, 4 - Triazole derivatives, processes for the preparation thereof, and pharmaceutical compositions containing the same CJ CORPORATION (JP) 2006-04-06 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-20060074118-A1 1, 2, 4 - Triazole derivatives, processes for the preparation thereof, and pharmaceutical compositions containing the same CYP4B1, CYP3A4, CYP3A5 PTGS2 2356/4885CA1 2194/4885CA2 1452/4885

“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.