SCHEMBL4243872

SCHEMBL4243872

CCOc1nc(-c2ccc(OC)cc2)n(-c2ccc(S(C)(=O)=O)cc2)n1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.61
PTGS1 P23219 8/20 0.61
MALT1 Q9UDY8 1/20 0.50

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
SCHEMBL4245103 0.90 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL3355973 0.90 PTGS2 (0.60) PTGS2PTGS1MALT1
SCHEMBL3355654 0.89 PTGS2 (0.77) PTGS2PTGS1MALT1
SCHEMBL4026247 0.89 PTGS1 (0.76) PTGS2PTGS1MALT1
SCHEMBL3359258 0.87 PTGS2 (0.53) PTGS2PTGS1MALT1
SCHEMBL3353893 0.84 PTGS2 (0.61) PTGS2PTGS1MALT1
SCHEMBL1385685 0.83 PTGS2 (0.65) PTGS2PTGS1
SCHEMBL4245198 0.81 PTGS2 (0.57) PTGS2PTGS1MALT1
SCHEMBL3355080 0.81 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL4032188 0.79 PTGS1 (0.72) PTGS2PTGS1MALT1

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 2356/4885PTGS1 808/4885MALT1 2100/4885

“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.