SCHEMBL2836034

SCHEMBL2836034

COc1cc(C)c(S(=O)(=O)N2CC(Oc3ccnc(N4CCC(O)(c5cccnc5)CC4)n3)C2)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
ALDH1A1 P00352 6/20 0.40
POLB P06746 1/20 0.39
PDE10A Q9Y233 2/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NAAA Q02083 1/20 0.39
CYP2D6 P10635 1/20 0.37
HPGD P15428 1/20 0.37
GRIN2B Q13224 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL2831837 0.87 LMNA (0.46) LMNAALDH1A1POLBPDE10APDE4A
SCHEMBL2364339 0.83 CYP2D6 (0.42) ALDH1A1SMN1; SMN2NAAACYP2D6HPGD
SCHEMBL2836096 0.82 LMNA (0.41) LMNAALDH1A1PDE10APDE4APDE4B
SCHEMBL2839171 0.82 LMNA (0.41) LMNAALDH1A1PDE10APDE4APDE4B
SCHEMBL2840074 0.78 LMNA (0.35) LMNAALDH1A1SMN1; SMN2NAAAHPGD
SCHEMBL2360732 0.77 BDKRB1 (0.40) NAAA
SCHEMBL14715495 0.76 KDM4E (0.38) ALDH1A1
SCHEMBL2835037 0.76 CHRM4 (0.36) ALDH1A1NAAA
SCHEMBL2836075 0.75 NAAA (0.39) SMN1; SMN2NAAAPKM
SCHEMBL2830936 0.74 ALDH1A1 (0.40) ALDH1A1POLB

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 3222/4885ALDH1A1 2375/4885POLB 98/4885

“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.