SCHEMBL2833846

SCHEMBL2833846

COc1cc(C)c(S(=O)(=O)N2CCCCC2COc2nccc(N(C)CCN3CCC(O)(c4cccnc4)CC3)n2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
CASP3 P42574 6/20 0.37
CASP7 P55210 5/20 0.37
ALDH1A1 P00352 3/20 0.36
CASP6 P55212 2/20 0.35
CASP1 P29466 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
NAMPT P43490 2/20 0.33
MAPT P10636 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
PDE10A Q9Y233 1/20 0.32
HTR7 P34969 1/20 0.32

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
SCHEMBL2834617 0.88 CASP3 (0.34) CASP3CASP7CASP6CASP1HTR7
SCHEMBL2835147 0.87 CASP3 (0.33) CASP3CASP7CASP6CASP1HTR7
SCHEMBL2833664 0.86 CASP3 (0.36) CASP3CASP7CASP6CASP1HTR7
SCHEMBL14715469 0.86 LMNA (0.38) LMNACASP3CASP7ALDH1A1CASP6
SCHEMBL2831136 0.86 LMNA (0.42) LMNACASP3CASP7ALDH1A1CASP6
SCHEMBL2360726 0.85 CASP3 (0.35) CASP3CASP7CASP6CASP1HTR7
SCHEMBL2837026 0.84 HTR7 (0.33) CASP3CASP7CASP6CASP1HTR7
SCHEMBL2834813 0.84 LMNA (0.43) LMNACASP3CASP7ALDH1A1CASP6
SCHEMBL2835083 0.83 HTR7 (0.33) CASP3CASP7HTR7
SCHEMBL2836664 0.82 HTR7 (0.35) CASP3CASP7CASP6CASP1HTR7

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 LMNA 3222/4885CASP3 1252/4885CASP7 1641/4885

“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.