SCHEMBL2364575

SCHEMBL2364575

COc1cc(C)c(S(=O)(=O)N2CCC[C@H]2COc2nccc(N3CCC4(CCN(Cc5ccc(F)cc5)C4=O)CC3)n2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 13/20 0.40
CASP7 P55210 12/20 0.40
HCRTR2 O43614 5/20 0.36
CASP1 P29466 1/20 0.35
CASP6 P55212 1/20 0.35
HCRTR1 O43613 3/20 0.35
LMNA P02545 1/20 0.35
IGF1R P08069 1/20 0.35
ALK Q9UM73 1/20 0.35

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
SCHEMBL2831432 0.98 CASP3 (0.38) CASP3CASP7HCRTR2CASP1CASP6
SCHEMBL2834128 0.93 HCRTR2 (0.41) CASP3CASP7HCRTR2CASP1CASP6
SCHEMBL2832199 0.91 HCRTR2 (0.40) CASP3CASP7HCRTR2CASP1CASP6
SCHEMBL2837036 0.89 CASP3 (0.38) CASP3CASP7IGF1RALK
SCHEMBL2834991 0.87 CASP3 (0.36) CASP3CASP7CASP1CASP6IGF1R
SCHEMBL2836747 0.87 CASP3 (0.40) CASP3CASP7HCRTR2CASP1CASP6
SCHEMBL2834664 0.83 CASP3 (0.35) CASP3CASP7CASP1CASP6IGF1R
SCHEMBL2839814 0.83 ALDH1A1 (0.41) CASP3CASP7LMNA
SCHEMBL2834971 0.81 HTR7 (0.38) CASP3CASP7LMNA
SCHEMBL2835475 0.81 BDKRB1 (0.36) HCRTR2HCRTR1

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 7 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
EP-2356101-A1 PYRIMIDINE AND TRIAZINE SULFONAMIDE DERIVATES AS B1 BRADYKININ RECEPTOR (B1R) INHIBITORS FOR TREATING PAIN Grünenthal GmbH (DE) 2011-08-17 EP claimed
US-20100173889-A1 Substituted Pyrimidine and Triazine Compounds GRUENENTHAL GMBH (DE) 2010-07-08 US claimed
WO-2010046109-A1 PYRIMIDINE AND TRIAZINE SULFONAMIDE DERIVATES AS B1 BRADYKININ RECEPTOR (B1R) INHIBITORS FOR TREATING PAIN Grünenthal GmbH (DE) 2010-04-29 WO 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 1641/4885HCRTR2 2560/4885

“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.