SCHEMBL13318367

SCHEMBL13318367

CC1(C(=O)O)CSC(c2ccc(CO)cc2O)=N1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 1/20 0.32
TTR P02766 1/20 0.32
CNR2 P34972 4/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
HDAC1 Q13547 2/20 0.31
SLC22A12 Q96S37 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
EGFR P00533 1/20 0.31
CYP1A2 P05177 1/20 0.31
FYN P06241 1/20 0.31
POLB P06746 1/20 0.31
CYP3A4 P08684 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL10331305 1.00 ACMSD (0.32) ACMSDTTRCNR2RXRARXRB
SCHEMBL13408606 0.91 ACMSD (0.34) ACMSDCNR2RXRARXRBRXRG
Deferitrin SCHEMBL1272026 0.84 TYR (0.35) KDM4EALDH1A1POLBGAAMAPT
SCHEMBL11963155 0.83 MEN1 (0.35) MEN1EGFRMAPTHPGDALOX15
SCHEMBL6314483 0.82 KDM4E (0.40) TTRRXRARXRBRXRGKDM4E
SCHEMBL6314485 0.82 KDM4E (0.40) TTRRXRARXRBRXRGKDM4E
SCHEMBL1534233 0.80 HTR2B (0.44) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL3301483 0.80 NPC1 (0.40) KDM4EMEN1ALDH1A1CYP1A2POLB
SCHEMBL3301476 0.80 NPC1 (0.40) KDM4EMEN1ALDH1A1CYP1A2POLB
SCHEMBL20175902 0.79 CNR1 (0.41) CNR2KDM4EMEN1USP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137346-A1 DESFERRITHIOCIN ANALOGUE ACTINIDE DECORPORATION AGENTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2010-06-03 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-20100137346-A1 DESFERRITHIOCIN ANALOGUE ACTINIDE DECORPORATION AGENTS TFRC, SLC40A1, FIBP ACMSD 2932/4885TTR 210/4885CNR2 4469/4885

“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.