SCHEMBL2836402

SCHEMBL2836402

COc1cc(C)c(S(=O)(=O)N2CCCCC2COc2ccnc(N3CCC(Oc4cnccn4)CC3)n2)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 11/20 0.46
GPR119 Q8TDV5 1/20 0.36
CASP3 P42574 4/20 0.35
CASP7 P55210 4/20 0.35
CASP1 P29466 1/20 0.34
CASP6 P55212 1/20 0.34

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
SCHEMBL2835301 0.90 CASP3 (0.38) NAAAGPR119CASP3CASP7CASP1
SCHEMBL2834077 0.88 NAAA (0.46) NAAACASP3CASP7
SCHEMBL2836786 0.86 KMT2A (0.39) CASP3CASP7CASP1CASP6
SCHEMBL2836548 0.85 CA12 (0.38) CASP3CASP7CASP1
SCHEMBL2836146 0.85 CASP3 (0.39) CASP3CASP7CASP1CASP6
SCHEMBL2832996 0.83 KMT2A (0.40) CASP3CASP7CASP1CASP6
SCHEMBL2839870 0.83 HTR7 (0.38) CASP3CASP7
SCHEMBL2832782 0.83 CA12 (0.39) CASP3CASP7CASP1
SCHEMBL2836552 0.83 HTR7 (0.38) CASP3CASP7
SCHEMBL2837335 0.82 BDKRB1 (0.41) CASP3CASP7CASP1

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 NAAA 1814/4885GPR119 893/4885CASP3 1252/4885

“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.