SCHEMBL2118345

SCHEMBL2118345

CCSC(O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 5/20 0.61
NADK O95544 1/20 0.61
ADORA3 P0DMS8 3/20 0.60
ADORA2A P29274 2/20 0.60
ADORA2B P29275 2/20 0.60
ADORA1 P30542 2/20 0.60
KMT2A Q03164 2/20 0.60
DPP4 P27487 1/20 0.60
MEN1 O00255 1/20 0.60
SLC28A1 O00337 1/20 0.60
MAP3K7 O43318 1/20 0.60
SLC28A2 O43868 1/20 0.60
GAPDH P04406 1/20 0.60
MAPK1 P28482 1/20 0.60
STAT6 P42226 1/20 0.60
PI4KA P42356 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
PI4K2B Q8TCG2 1/20 0.60
DOT1L Q8TEK3 1/20 0.60
SLC29A1 Q99808 1/20 0.60

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
SCHEMBL4191285 0.89 AHCY (0.59) AHCYNADKADORA3ADORA2AADORA2B
SCHEMBL101380 0.89 AHCY (0.62) AHCYNADKADORA3ADORA2AADORA2B
SCHEMBL6894498 0.87 AHCY (0.59) AHCYNADKADORA3ADORA2AADORA2B
SCHEMBL18026180 0.87 ADORA3 (0.63) AHCYNADKADORA3ADORA2AADORA2B
SCHEMBL21413842 0.87 ADORA3 (0.63) AHCYNADKADORA3ADORA2AADORA2B
SCHEMBL21837298 0.87 ADORA3 (0.63) AHCYNADKADORA3ADORA2AADORA2B
SCHEMBL800618 0.87 ADORA3 (0.63) AHCYNADKADORA3ADORA2AADORA2B
SCHEMBL397800 0.86 AHCY (0.68) AHCYADORA3ADORA2AADORA2BADORA1
SCHEMBL31680251 0.86 AHCY (0.68) AHCYADORA3ADORA2AADORA2BADORA1
SCHEMBL22326785 0.85 PRMT5 (0.64) AHCYADORA3ADORA2AADORA2BADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0693127-A1 USE OF TOMATO E8-DERIVED PROMOTERS TO EXPRESS HETEROLOGOUS GENES, E.G. S-ADENOSYLMETHIONINE HYDROLASE, IN RIPENING FRUIT EPITOPE, INC. (US) 1996-01-24 EP claimed
WO-1994024294-A1 USE OF TOMATO E8-DERIVED PROMOTERS TO EXPRESS HETEROLOGOUS GENES, E.G. S-ADENOSYLMETHIONINE HYDROLASE, IN RIPENING FRUIT EPITOPE, INC. (US) 1994-10-27 WO claimed
US-20150119351-A1 THERAPY OF TUMORS AND INFECTIOUS AGENTS DEFICIENT IN METHYLTHIOADENOSINE PHOSPHORYLASE LUBIN ADAM (US) 2015-04-30 US disclosed
US-8796241-B2 Therapy of tumors and infectious agents deficient in methylthioadenosine phosphorylase LUBIN ADAM (US) 2014-08-05 US disclosed
US-20120094947-A1 METHOD FOR THE SELECTIVE THERAPY OF DISEASE LUBIN ADAM (US) 2012-04-19 US disclosed
EP-2192905-A2 METHOD FOR THE SELECTIVE THERAPY OF DISEASE Lubin, Adam (US) 2010-06-09 EP disclosed
WO-2009032057-A2 METHOD FOR THE SELECTIVE THERAPY OF DISEASE LUBIN ADAM (US) 2009-03-12 WO disclosed
EP-1482977-A1 COMBINATION THERAPIES FOR TREATING METHYLTHIOADENOSINE PHOSPHORYLASE DEFICIENT CELLS PFIZER INC. (US) 2004-12-08 EP disclosed
US-20040043959-A1 Combination therapies for treating methylthioadenosine phosphorylase deficient cells AGOURON PHARMACEUTICALS INC. 2004-03-04 US disclosed
WO-2003074083-A1 COMBINATION THERAPIES FOR TREATING METHYLTHIOADENOSINE PHOSPHORYLASE DEFICIENT CELLS PFIZER INC. (US) 2003-09-12 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-20040043959-A1 Combination therapies for treating methylthioadenosine phosphorylase deficient cells APRT, MTAP, TYMP AHCY 62/4885NADK 1514/4885ADORA3 743/4885

“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.