SCHEMBL2835211

SCHEMBL2835211

COc1cc(C)c(S(=O)(=O)N2CCC[C@H]2COc2nccc(N3CC4CC3CN4Cc3ccncc3)n2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 18/20 0.39
CASP7 P55210 15/20 0.37
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
CASP6 P55212 4/20 0.35
CASP1 P29466 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL2836069 0.98 CASP3 (0.37) CASP3CASP7OPRM1OPRK1CASP6
SCHEMBL2833006 0.84 KMT2A (0.37) MEN1KMT2A
SCHEMBL2360744 0.81 CASP3 (0.41) CASP3CASP7CASP6CASP1
SCHEMBL2840054 0.79 CASP3 (0.41) CASP3CASP7
SCHEMBL2832048 0.79 CASP3 (0.41) CASP3CASP7CASP6CASP1
SCHEMBL2830422 0.79 CASP3 (0.40) CASP3CASP7CASP6CASP1
SCHEMBL2830420 0.79 CASP3 (0.40) CASP3CASP7CASP6CASP1
SCHEMBL2834971 0.79 HTR7 (0.38) CASP3CASP7
SCHEMBL2835570 0.78 CASP3 (0.41) CASP3CASP7
SCHEMBL2830988 0.77 KMT2A (0.40) CASP3CASP7CASP6CASP1KMT2A

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-2356101-B1 PYRIMIDINE- AND TRIAZINE-SULFONAMIDE DERIVATIVES AS BRADYKININ B1 RECEPTOR (B1R) INHIBITORS FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2013-02-27 EP claimed
US-8269000-B2 Substituted pyrimidine and triazine compounds GRUENENTHAL GMBH (DE) 2012-09-18 US claimed
US-20100173889-A1 Substituted Pyrimidine and Triazine Compounds GRUENENTHAL GMBH (DE) 2010-07-08 US claimed
US-8269000-B2 Substituted pyrimidine and triazine compounds GRUENENTHAL GMBH (DE) 2012-09-18 US disclosed
US-20100173889-A1 Substituted Pyrimidine and Triazine Compounds GRUENENTHAL GMBH (DE) 2010-07-08 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-20100173889-A1 Substituted Pyrimidine and Triazine Compounds ADORA2B, CCNB1, TYMS CASP3 1252/4885CASP7 1641/4885OPRM1 1056/4885

“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.