SCHEMBL2836075

SCHEMBL2836075

COc1cc(C)c(S(=O)(=O)N2CC(Oc3ccnc(Cl)n3)C2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.39
CACNB4 O00305 2/20 0.38
CACNA1A O00555 2/20 0.38
CACNA1G O43497 2/20 0.38
CACNG3 O60359 2/20 0.38
CACNA1F O60840 2/20 0.38
CACNA1H O95180 2/20 0.38
CACNB3 P54284 2/20 0.38
CACNA2D1 P54289 2/20 0.38
CACNG7 P62955 2/20 0.38
CACNA1B Q00975 2/20 0.38
CACNA1D Q01668 2/20 0.38
CACNB1 Q02641 2/20 0.38
CACNG1 Q06432 2/20 0.38
CACNB2 Q08289 2/20 0.38
CACNA1S Q13698 2/20 0.38
CACNA1C Q13936 2/20 0.38
CACNA1E Q15878 2/20 0.38
CACNA2D4 Q7Z3S7 2/20 0.38
CACNA2D3 Q8IZS8 2/20 0.38

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
SCHEMBL2834917 0.90 LMNA (0.41) NAAAFPR2PROKR1PKMSMN1; SMN2
SCHEMBL2834671 0.84 FPR2 (0.36) NAAACACNB4CACNA1ACACNA1GCACNG3
SCHEMBL2360732 0.78 BDKRB1 (0.40) NAAAHCRTR1HCRTR2
SCHEMBL2364339 0.77 CYP2D6 (0.42) NAAAHCRTR1HCRTR2SMN1; SMN2
SCHEMBL2835037 0.77 CHRM4 (0.36) NAAAFPR2PROKR1HCRTR1HCRTR2
SCHEMBL14715495 0.76 KDM4E (0.38) HCRTR1HCRTR2
SCHEMBL2836034 0.75 LMNA (0.44) NAAAPKMSMN1; SMN2
SCHEMBL2831995 0.75 LMNA (0.40) FPR2PROKR1PKMSMN1; SMN2
SCHEMBL2830936 0.74 ALDH1A1 (0.40)
SCHEMBL2839849 0.74 CASP3 (0.41)

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 disclosed
US-8269000-B2 Substituted pyrimidine and triazine compounds GRUENENTHAL GMBH (DE) 2012-09-18 US disclosed
US-8269000-B2 Substituted pyrimidine and triazine compounds GRUENENTHAL GMBH (DE) 2012-09-18 US disclosed
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
US-20100173889-A1 Substituted Pyrimidine and Triazine Compounds GRUENENTHAL GMBH (DE) 2010-07-08 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 NAAA 1814/4885CACNB4 2479/4885CACNA1A 103/4885

“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.