SCHEMBL2835368

SCHEMBL2835368

COc1cc(C)c(S(=O)(=O)N2CCCCC2COc2nccc(N3CCCC3Cc3ccccn3)n2)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 2/20 0.37
ALDH1A1 P00352 4/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
KDM4E B2RXH2 3/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
CASP3 P42574 4/20 0.36
CASP7 P55210 4/20 0.36
CASP1 P29466 1/20 0.36
CASP2 P42575 1/20 0.36
CASP4 P49662 1/20 0.36
CASP9 P55211 1/20 0.36
CASP6 P55212 1/20 0.36
CASP8 Q14790 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
SCHEMBL2832787 0.98 GNRHR (0.38) GNRHRALDH1A1KDM4ERAB9AL3MBTL1
SCHEMBL2836644 0.87 CASP3 (0.38) GNRHRALDH1A1LMNASMN1; SMN2MCOLN3
SCHEMBL2840106 0.85 CASP3 (0.39) GNRHRRAB9ACASP3CASP7CASP1
SCHEMBL2836273 0.85 CASP3 (0.39) GNRHRRAB9ACASP3CASP7CASP1
SCHEMBL2835479 0.83 KDM4E (0.41) ALDH1A1LMNAKDM4EMAPTHSD17B10
SCHEMBL2830988 0.82 KMT2A (0.40) ALDH1A1LMNAKDM4EMAPTHSD17B10
SCHEMBL2836668 0.82 ALDH1A1 (0.40) ALDH1A1LMNASMN1; SMN2KDM4ERAB9A
SCHEMBL2830570 0.81 KDM4E (0.39) ALDH1A1LMNAKDM4EMAPTHSD17B10
SCHEMBL2835902 0.81 ALDH1A1 (0.38) ALDH1A1LMNAKDM4EL3MBTL1MAPT
SCHEMBL2835631 0.81 PDE10A (0.37) ALDH1A1LMNAKDM4ERAB9AMAPT

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 GNRHR 2304/4885ALDH1A1 2375/4885LMNA 3222/4885

“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.