SCHEMBL954611

SCHEMBL954611

CNC[C@H]1O[C@@H](n2c(-c3ccccc3)nc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAPDH P04406 2/20 0.78
HSD17B10 Q99714 1/20 0.78
NADK O95544 1/20 0.75
SIRT2 Q8IXJ6 1/20 0.68
SIRT1 Q96EB6 1/20 0.68
TRPM2 O94759 3/20 0.62
HSPA5 P11021 3/20 0.58
SLC28A2 O43868 5/20 0.57
HSPA8 P11142 3/20 0.57
RXFP1 Q9HBX9 1/20 0.57
AMD1 P17707 2/20 0.56
ADORA3 P0DMS8 1/20 0.55

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
SCHEMBL954614 1.00 GAPDH (0.78) GAPDHHSD17B10NADKSIRT2SIRT1
SCHEMBL1097445 0.88 GAPDH (1.00) GAPDHHSD17B10NADKSIRT2SIRT1
SCHEMBL15906322 0.88 GAPDH (1.00) GAPDHHSD17B10NADKSIRT2SIRT1
SCHEMBL1106676 0.88 GAPDH (1.00) GAPDHHSD17B10NADKSIRT2SIRT1
SCHEMBL13835108 0.88 GAPDH (0.84) GAPDHHSD17B10NADKSIRT2SIRT1
SCHEMBL1097451 0.88 GAPDH (1.00) GAPDHHSD17B10NADKSIRT2SIRT1
SCHEMBL952181 0.87 GAPDH (0.83) GAPDHHSD17B10NADKSIRT2SIRT1
SCHEMBL952182 0.87 GAPDH (0.83) GAPDHHSD17B10NADKSIRT2SIRT1
SCHEMBL954252 0.87 AMD1 (0.72) GAPDHHSD17B10NADKHSPA5HSPA8
SCHEMBL954255 0.87 AMD1 (0.72) GAPDHHSD17B10NADKHSPA5HSPA8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009354-A1 5',-SUBSTITUTED ADENOSYNES PREPARATION THEREOF AND USE AS INHIBITORS OF S-ADENOSYLMETHIONINE DECARBOXYLASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-01-13 US claimed
EP-2170057-A1 5'-SUBSTITUTED ADENOSYNES, PREPARATION THEREOF AND USE AS INHIBITORS OF S-ADENOSYLMETHIONINE DECARBOXYLASE Southern Research Institute (US) 2010-04-07 EP claimed
WO-2009018541-A1 5'-SUBSTITUTED ADENOSYNES, PREPARATION THEREOF AND USE AS INHIBITORS OF S-ADENOSYLMETHIONINE DECARBOXYLASE SOUTHERN RESEARCH INSTITUTE (US) 2009-02-05 WO claimed
US-8637485-B2 5′,-substituted adenosynes preparation thereof and use as inhibitors of S-adenosylmethionine decarboxylase SOUTHERN RESEARCH INSTITUTE (US) 2014-01-28 US disclosed
EP-2574616-A2 5'-substituted adenosynes, preparation thereof and use as inhibitors of s-adenosylmethionine decarboxylase. Southern Research Institute (US) 2013-04-03 EP disclosed
US-20110009354-A1 5',-SUBSTITUTED ADENOSYNES PREPARATION THEREOF AND USE AS INHIBITORS OF S-ADENOSYLMETHIONINE DECARBOXYLASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-01-13 US disclosed
EP-2170057-A1 5'-SUBSTITUTED ADENOSYNES, PREPARATION THEREOF AND USE AS INHIBITORS OF S-ADENOSYLMETHIONINE DECARBOXYLASE Southern Research Institute (US) 2010-04-07 EP disclosed
WO-2009018541-A1 5'-SUBSTITUTED ADENOSYNES, PREPARATION THEREOF AND USE AS INHIBITORS OF S-ADENOSYLMETHIONINE DECARBOXYLASE SOUTHERN RESEARCH INSTITUTE (US) 2009-02-05 WO 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-20110009354-A1 5',-SUBSTITUTED ADENOSYNES PREPARATION THEREOF AND USE AS INHIBITORS OF S-ADENOSYLMETHIONINE DECARBOXYLASE AMD1, ADA, MTAP GAPDH 1209/4885HSD17B10 330/4885NADK 528/4885

“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.