SCHEMBL1168059

SCHEMBL1168059

NCCCCC(C(=O)O)N(N)CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.47
RNPEP Q9H4A4 1/20 0.46
CPB2 Q96IY4 7/20 0.42
FOLH1 Q04609 1/20 0.40
CYP2D6 P10635 1/20 0.39
NFKB1 P19838 1/20 0.39
BLM P54132 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
LMNA P02545 2/20 0.38
THRB P10828 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PLG P00747 1/20 0.38
ALOX15 P16050 1/20 0.38
SLC6A2 P23975 1/20 0.38
RECQL P46063 1/20 0.38
SLC6A3 Q01959 1/20 0.38
GABRR1 P24046 3/20 0.35
GABRR3 A8MPY1 1/20 0.35

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
SCHEMBL14228039 0.85 GSR (0.50) GSRRNPEPCPB2FOLH1CYP2D6
SCHEMBL382017 0.83 GSR (0.48) GSRRNPEPCPB2FOLH1CYP2D6
SCHEMBL24075891 0.83 GSR (0.48) GSRRNPEPCPB2FOLH1CYP2D6
SCHEMBL14890176 0.83 GSR (0.48) GSRRNPEPCPB2FOLH1CYP2D6
SCHEMBL158632 0.83 GSR (0.48) GSRRNPEPCPB2FOLH1CYP2D6
SCHEMBL30037850 0.82 FOLH1 (0.49) GSRRNPEPCPB2FOLH1CYP2D6
SCHEMBL388186 0.81 GSR (0.47) GSRRNPEPCPB2FOLH1CYP2D6
SCHEMBL6267879 0.81 GSR (0.47) GSRRNPEPCPB2FOLH1CYP2D6
Water SCHEMBL1007984 0.81 GSR (0.47) GSRRNPEPCPB2FOLH1CYP2D6
SCHEMBL6028111 0.81 GSR (0.47) GSRRNPEPCPB2FOLH1CYP2D6

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-8431527-B2 Methods for alleviating deleterious effects of 3-deoxyglucosone FOX CHASE CANCER CENTER (US) 2013-04-30 US disclosed
US-20110034522-A1 METHODS FOR ALLEVIATING DELETERIOUS EFFECTS OF 3-DEOXYGLUCOSONE THE INSTITUTE FOR CANCER RESEARCH 2011-02-10 US disclosed
WO-2000024405-A9 COMPOUNDS AND THEIR THERAPEUTIC USE WITH DIABETIC COMPLICATIONS FOX CHASE CANCER CENTER (US) 2000-10-19 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-20110034522-A1 METHODS FOR ALLEVIATING DELETERIOUS EFFECTS OF 3-DEOXYGLUCOSONE AGER, ALDOA, FBP1 GSR 295/4885RNPEP 1418/4885CPB2 2725/4885

“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.