SCHEMBL2837100

SCHEMBL2837100

COc1cc(C)c(S(=O)(=O)N(C)C(COc2nccc(N3CCC(O)(c4ccncc4)CC3)n2)c2ccccc2)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 9/20 0.35
OPRM1 P35372 8/20 0.35
OPRK1 P41145 8/20 0.35
OPRL1 P41146 8/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP46A1 Q9Y6A2 2/20 0.32
LMNA P02545 1/20 0.32
HSD11B1 P28845 1/20 0.32
KCNH2 Q12809 2/20 0.32
TACR2 P21452 2/20 0.31
TACR1 P25103 2/20 0.31
RET P07949 1/20 0.31

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
SCHEMBL2832611 0.85 ACACB (0.40)
SCHEMBL2831310 0.84 KDM4E (0.33) ALDH1A1
SCHEMBL2836230 0.83 HCRTR2 (0.39)
SCHEMBL2836228 0.82 GHSR (0.38) ALDH1A1
SCHEMBL2835478 0.81 ALDH1A1 (0.46) ALDH1A1
SCHEMBL2830529 0.81 USP2 (0.30) ALDH1A1
SCHEMBL2834090 0.81 BDKRB1 (0.44)
SCHEMBL2836217 0.81 DRD2 (0.33)
SCHEMBL2836121 0.81 DRD2 (0.30)
SCHEMBL2835984 0.80 HCRTR2 (0.36)

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 OPRD1 1063/4885OPRM1 1056/4885OPRK1 594/4885

“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.