SCHEMBL15047161

SCHEMBL15047161

CCOC(=O)[C@H]1CSC(c2ccc(OC)cc2O)=N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 1/20 0.43
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
MAPT P10636 5/20 0.39
TSHR P16473 3/20 0.39
PPARG P37231 2/20 0.39
ALDH1A1 P00352 5/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
USP2 O75604 1/20 0.37
HTT P42858 1/20 0.37
BRD4 O60885 1/20 0.37

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
SCHEMBL5623050 0.90 ALDH1A1 (0.45) MAPTTSHRPPARGALDH1A1POLB
SCHEMBL3954380 0.90 ALDH1A1 (0.45) MAPTTSHRPPARGALDH1A1POLB
SCHEMBL15047164 0.88 HTR2B (0.47) HTR2BCYP3A4HPGDMAPTTSHR
SCHEMBL21515743 0.85 HTR2B (0.38) HTR2BMAPTTSHRTDP1KDM4E
SCHEMBL21515741 0.85 HTR2B (0.38) HTR2BMAPTTSHRTDP1KDM4E
SCHEMBL3330847 0.84 HTR2B (0.48) HTR2BCYP3A4HPGDMAPTALDH1A1
SCHEMBL13298925 0.84 HTR2B (0.48) HTR2BCYP3A4HPGDMAPTALDH1A1
SCHEMBL14028912 0.84 HTR2B (0.48) HTR2BCYP3A4HPGDALDH1A1KMT2A
SCHEMBL5622788 0.83 MAPT (0.49) HPGDMAPTTSHRALDH1A1POLB
SCHEMBL15047712 0.78 HTR2B (0.43) HTR2BHPGDMAPTALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220105078-A1 USES OF 4'-DESFERRITHIOCIN ANALOGS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2022-04-07 US disclosed
US-20170209420-A1 USES OF 4'-DESFERRITHIOCIN ANALOGS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2017-07-27 US disclosed
US-20140343110-A1 USES OF 4'-DESFERRITHIOCIN ANALOGS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2014-11-20 US disclosed
WO-2013090750-A1 USES OF 4'-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 (3 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-20220105078-A1 USES OF 4'-DESFERRITHIOCIN ANALOGS TFRC, AIFM2, VIP HTR2B 695/4885CYP3A4 3371/4885HPGD 1039/4885
US-20140343110-A1 USES OF 4'-DESFERRITHIOCIN ANALOGS TFRC, AIFM2, VIP HTR2B 672/4885CYP3A4 3327/4885HPGD 972/4885
US-20170209420-A1 USES OF 4'-DESFERRITHIOCIN ANALOGS TFRC, AIFM2, VIP HTR2B 672/4885CYP3A4 3327/4885HPGD 972/4885

“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.