SCHEMBL2836096

SCHEMBL2836096

COc1cc(C)c(S(=O)(=O)N2CCC[C@H]2COc2ccnc(N3CCC(O)(c4cccnc4)CC3)n2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
CASP3 P42574 9/20 0.40
CASP7 P55210 8/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CASP6 P55212 4/20 0.39
CASP1 P29466 2/20 0.39
PDE10A Q9Y233 3/20 0.38
ALDH1A1 P00352 2/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
NAMPT P43490 1/20 0.37

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
SCHEMBL2839171 0.98 LMNA (0.41) LMNACASP3CASP7SMN1; SMN2CASP6
SCHEMBL2834813 0.87 LMNA (0.43) LMNACASP3CASP7SMN1; SMN2CASP6
SCHEMBL2835269 0.87 CASP3 (0.37) CASP3CASP7CASP6CASP1PDE10A
SCHEMBL2832686 0.87 CASP3 (0.38) CASP3CASP7CASP6CASP1NAMPT
SCHEMBL2836739 0.85 CASP3 (0.37) CASP3CASP7CASP6CASP1NAMPT
SCHEMBL2835287 0.85 CASP3 (0.36) CASP3CASP7CASP6CASP1NAMPT
SCHEMBL2831136 0.85 LMNA (0.42) LMNACASP3CASP7SMN1; SMN2CASP6
SCHEMBL2832792 0.85 PDE10A (0.36) LMNACASP3CASP7CASP6CASP1
SCHEMBL2835829 0.85 CASP3 (0.36) CASP3CASP7CASP6CASP1
SCHEMBL2832996 0.85 KMT2A (0.40) LMNACASP3CASP7CASP6CASP1

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.