SCHEMBL477277

SCHEMBL477277

[CH2]CC(N1CCNCC1)S(C)(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.35
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
OPRD1 P41143 1/20 0.32
KDM4E B2RXH2 1/20 0.31
SLC6A4 P31645 1/20 0.30

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
Hydrochloric Acid SCHEMBL3364148 0.81 SLC6A2 (0.35) SLC6A2CHRM2CHRM1OPRD1KDM4E
SCHEMBL28080241 0.71 CHRM2 (0.40) SLC6A2CHRM2CHRM1OPRD1KDM4E
SCHEMBL435752 0.70 SIGMAR1 (0.38) SLC6A2CHRM2CHRM1OPRD1SLC6A4
SCHEMBL1696717 0.69 OPRD1 (0.35) SLC6A2CHRM2CHRM1OPRD1KDM4E
SCHEMBL1134898 0.69 MEN1 (0.33) SLC6A2CHRM2CHRM1SLC6A4
SCHEMBL21358779 0.68 SIGMAR1 (0.45) SLC6A2CHRM2CHRM1OPRD1SLC6A4
Hydrochloric Acid SCHEMBL5865347 0.68 OPRD1 (0.35) SLC6A2CHRM2CHRM1OPRD1KDM4E
Sulfuric Acid SCHEMBL29036121 0.68 OPRD1 (0.35) SLC6A2CHRM2CHRM1OPRD1KDM4E
SCHEMBL582819 0.67 SIGMAR1 (0.32) SLC6A2
SCHEMBL28344667 0.67 LMNA (0.31) SLC6A2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411387-B1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY VETDC INC (US) 2015-08-19 EP disclosed
US-9108980-B2 Pyrimidinyl and 1,3,5-triazinyl benzimidazole sulfonamides and their use in cancer therapy VETDC, INC. (US) 2015-08-18 US disclosed
US-20150038486-A1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY ELANCO US INC. 2015-02-05 US disclosed
US-8772287-B2 Pyrimidinyl and 1,3,5-triazinyl benzimidazole sulfonamides and their use in cancer therapy VETDC, INC. (US) 2014-07-08 US disclosed
US-20130289016-A1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY ELANCO US INC. 2013-10-31 US disclosed
US-8461158-B2 Pyrimidinyl and 1,3,5-triazinyl benzimidazole sulfonamides and their use in cancer therapy PATHWAY THERAPEUTICS INC. (US) 2013-06-11 US disclosed
EP-2411387-A2 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY Pathway Therapeutics, Inc. (US) 2012-02-01 EP disclosed
WO-2010110685-A2 PYRIMDDINYL AND 1,3,5-TRIAZINYL BENZIMTOAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY PATHWAY THERAPEUTICS LIMITED (NZ) 2010-09-30 WO disclosed
US-20100249099-A1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY PATHWAY THERAPEUTICS LIMITED (NZ) 2010-09-30 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 (3 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-20100249099-A1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY PAICS, CCNI, TYMS SLC6A2 4699/4885CHRM2 4868/4885CHRM1 4841/4885
US-20150038486-A1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY PAICS, CCNI, TYMS SLC6A2 4699/4885CHRM2 4868/4885CHRM1 4841/4885
US-20130289016-A1 PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLE SULFONAMIDES AND THEIR USE IN CANCER THERAPY PAICS, CCNI, TYMS SLC6A2 4699/4885CHRM2 4868/4885CHRM1 4841/4885

“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.