Sugi Predict

Sugi Predict / Compounds / SCHEMBL956852

SCHEMBL956852

SCHEMBL956852

CCOC(=O)CCN(C)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C(O)C1O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AMD1 P17707 5/20 0.71
▸ EZH2 Q15910 1/20 0.70
▸ HSP90B1 P14625 1/20 0.65
▸ DOT1L Q8TEK3 5/20 0.62
▸ SMYD3 Q9H7B4 2/20 0.60
▸ SETD2 Q9BYW2 1/20 0.60
▸ AHCY P23526 2/20 0.59
▸ DPP4 P27487 1/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ SLC28A1 O00337 1/20 0.57
▸ MAP3K7 O43318 1/20 0.57
▸ SLC28A2 O43868 1/20 0.57
▸ GAPDH P04406 1/20 0.57
▸ ADORA3 P0DMS8 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ ADORA2A P29274 1/20 0.57
▸ ADORA2B P29275 1/20 0.57
▸ ADORA1 P30542 1/20 0.57
▸ STAT6 P42226 1/20 0.57
▸ PI4KA P42356 1/20 0.57

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
SCHEMBL956849 1.00 AMD1 (0.71) AMD1EZH2HSP90B1DOT1LSMYD3
SCHEMBL952289 0.86 AMD1 (0.80) AMD1EZH2
SCHEMBL952287 0.86 AMD1 (0.80) AMD1EZH2
SCHEMBL955363 0.86 PI4KA (0.62) AMD1EZH2HSP90B1DOT1LAHCY
SCHEMBL16512994 0.85 EHMT1 (0.72) AMD1HSP90B1DOT1LAHCYDPP4
SCHEMBL7898371 0.85 AHCY (0.79) AMD1HSP90B1DOT1LAHCYDPP4
SCHEMBL18119944 0.85 EZH2 (0.76) AMD1EZH2DOT1LSMYD3SETD2
SCHEMBL29470246 0.85 EZH2 (0.76) AMD1EZH2DOT1LSMYD3SETD2
SCHEMBL13662862 0.85 EZH2 (0.76) AMD1EZH2DOT1LSMYD3SETD2
Hydrochloric Acid SCHEMBL11797921 0.84 AHCY (0.77) AMD1HSP90B1DOT1LAHCYDPP4

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
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
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 AMD1 1/4885EZH2 370/4885HSP90B1 2698/4885

“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.