SCHEMBL15047712

SCHEMBL15047712

CCOC(=O)[C@H]1CSC(c2cccc(OC)c2O)=N1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.43
TDP1 Q9NUW8 3/20 0.41
CTDSP1 Q9GZU7 2/20 0.41
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 3/20 0.39
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GAA P10253 2/20 0.37
TP53 P04637 1/20 0.36
ERN1 O75460 2/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
KMT2A Q03164 1/20 0.36
THRB P10828 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL15047709 0.88 HTR2B (0.46) HTR2BMAPTL3MBTL1ALDH1A1KDM4E
SCHEMBL1268161 0.84 HTR2B (0.47) HTR2BMAPTALDH1A1KDM4ERAB9A
SCHEMBL1268158 0.84 HTR2B (0.47) HTR2BMAPTALDH1A1KDM4ERAB9A
SCHEMBL5623050 0.80 ALDH1A1 (0.45) TDP1MAPTALDH1A1KDM4EHSD17B10
SCHEMBL3954380 0.80 ALDH1A1 (0.45) TDP1MAPTALDH1A1KDM4EHSD17B10
SCHEMBL13549371 0.79 HTR2B (0.41) HTR2BTDP1MAPTL3MBTL1ALDH1A1
SCHEMBL15047161 0.78 HTR2B (0.43) HTR2BTDP1MAPTALDH1A1KDM4E
SCHEMBL16203066 0.76 MEN1 (0.43) HTR2BMAPTL3MBTL1ALDH1A1KDM4E
SCHEMBL27950276 0.76 KDM4E (0.44) HTR2BTDP1MAPTALDH1A1KDM4E
SCHEMBL5914830 0.75 TSHR (0.46) HTR2BMAPTALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140323534-A1 USES OF 3'-DESFERRITHIOCIN ANALOGS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2014-10-30 US disclosed
WO-2013090766-A1 USES OF 3'-DESFERRITHIOCIN ANALOGS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2013-06-20 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-20140323534-A1 USES OF 3'-DESFERRITHIOCIN ANALOGS TFRC, AIFM2, FTH1 HTR2B 914/4885TDP1 3819/4885CTDSP1 4675/4885

“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.