SCHEMBL952754

SCHEMBL952754

CCOC(C)=NOCCN(C)C[C@H]1O[C@@H](n2c(-c3ccccc3)nc3c(N)ncnc32)C(O)C1O

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.60
GAPDH P04406 1/20 0.60
NADK O95544 1/20 0.58
AMD1 P17707 13/20 0.56
SIRT2 Q8IXJ6 1/20 0.56
SIRT1 Q96EB6 1/20 0.56
TRPM2 O94759 3/20 0.52

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
SCHEMBL952752 1.00 HSD17B10 (0.60) HSD17B10GAPDHNADKAMD1SIRT2
SCHEMBL952750 1.00 HSD17B10 (0.60) HSD17B10GAPDHNADKAMD1SIRT2
SCHEMBL953652 0.95 AMD1 (0.58) HSD17B10GAPDHNADKAMD1SIRT2
SCHEMBL953651 0.95 AMD1 (0.58) HSD17B10GAPDHNADKAMD1SIRT2
SCHEMBL953650 0.95 AMD1 (0.58) HSD17B10GAPDHNADKAMD1SIRT2
SCHEMBL951627 0.90 AMD1 (0.69) AMD1
SCHEMBL951623 0.90 AMD1 (0.69) AMD1
SCHEMBL951626 0.90 AMD1 (0.69) AMD1
SCHEMBL952748 0.87 AMD1 (0.69) AMD1
SCHEMBL952749 0.87 AMD1 (0.69) AMD1

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 3 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
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
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

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 HSD17B10 330/4885GAPDH 1209/4885NADK 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.