SCHEMBL3301476

SCHEMBL3301476

COc1ccc(C2=N[C@@](C)(C(=O)O)CS2)c(O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
MAPK1 P28482 2/20 0.39
CYP3A4 P08684 1/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
PTPN1 P18031 1/20 0.39
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
PGR P06401 1/20 0.38

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
SCHEMBL3301483 1.00 NPC1 (0.40) NPC1RAB9AALDH1A1HPGDMAPK1
SCHEMBL3303995 0.91 NPC1 (0.40) NPC1RAB9AALDH1A1HPGDMAPK1
SCHEMBL3303985 0.91 NPC1 (0.40) NPC1RAB9AALDH1A1HPGDMAPK1
SCHEMBL14028913 0.90 CYP3A4 (0.42) NPC1RAB9AALDH1A1HPGDMAPK1
Deferitrin SCHEMBL1272026 0.87 TYR (0.35) ALDH1A1HPGDMAPTPOLBHTT
Deferitrin SCHEMBL18103545 0.87 TYR (0.35) ALDH1A1HPGDMAPTPOLBHTT
Deferitrin SCHEMBL663744 0.87 TYR (0.35) ALDH1A1HPGDMAPTPOLBHTT
SCHEMBL20175902 0.86 CNR1 (0.41) NPC1ALDH1A1HPGDMAPK1KMT2A
SCHEMBL11963215 0.86 SLC22A12 (0.39)
SCHEMBL18189628 0.85 PPARD (0.42) ALDH1A1HPGDKMT2AMEN1SMN1; SMN2

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10570104-B2 Metabolically programmed metal chelators and uses thereof UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2020-02-25 US disclosed
EP-3190106-B1 DESFERRITHIOCIN POLYETHER ANALOGUES UNIV FLORIDA (US) 2019-05-08 EP disclosed
US-9994535-B2 Desferrithiocin polyether analogues UNIVERSITY OF FLORIDA FOUNDATION, INC. (US) 2018-06-12 US disclosed
US-20180140581-A1 METABOLICALLY PROGRAMMED METAL CHELATORS AND USES THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2018-05-24 US disclosed
US-9730917-B2 Desferrithiocin polyether analogues UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2017-08-15 US disclosed
US-9730917-B2 Desferrithiocin polyether analogues UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2017-08-15 US disclosed
US-20170217912-A1 DESFERRITHIOCIN POLYETHER ANALOGUES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2017-08-03 US disclosed
EP-3190106-A1 DESFERRITHIOCIN POLYETHER ANALOGUES University of Florida Research Foundation, Inc. (US) 2017-07-12 EP disclosed
US-9567309-B2 Desferrithiocin polyether analogues UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2017-02-14 US disclosed
WO-2016176343-A1 METABOLICALLY PROGRAMMED METAL CHELATORS AND USES THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2016-11-03 WO disclosed
US-20100137346-A1 DESFERRITHIOCIN ANALOGUE ACTINIDE DECORPORATION AGENTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2010-06-03 US disclosed
US-20100137346-A1 DESFERRITHIOCIN ANALOGUE ACTINIDE DECORPORATION AGENTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2010-06-03 US disclosed
US-20100093812-A1 DESFERRITHIOCIN POLYETHER ANALOGUES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2010-04-15 US disclosed
US-20100093812-A1 DESFERRITHIOCIN POLYETHER ANALOGUES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2010-04-15 US disclosed
EP-2137170-A1 DESFERRITHIOCIN POLYETHER ANALOGUES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2009-12-30 EP disclosed
EP-2101764-A2 DESFERRITHIOCIN ANALOGUE ACTINIDE DECORPORATION AGENTS UNIVERSITY OF FLORIDA (US) 2009-09-23 EP disclosed
WO-2008130395-A2 DESFERRITHIOCIN ANALOGUE ACTINIDE DECORPORATION AGENTS UNIVERSITY OF FLORIDA (US) 2008-10-30 WO disclosed
WO-2008115433-A1 DESFERRITHIOCIN POLYETHER ANALOGUES UNIVERSITY OF FLORIDA (US) 2008-09-25 WO disclosed
US-20080214630-A1 Oral bioavailability; minimal toxicity; low concentration in the kidneys after administration; reduce oxidative stress; (S)-4,5-Dihydro-2-[2-hydroxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-methyl-4-thiazolecarboxylic acid; condition responsive to chelation or sequestration of a trivalent metal UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2008-09-04 US disclosed
US-20080214630-A1 Oral bioavailability; minimal toxicity; low concentration in the kidneys after administration; reduce oxidative stress; (S)-4,5-Dihydro-2-[2-hydroxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-methyl-4-thiazolecarboxylic acid; condition responsive to chelation or sequestration of a trivalent metal UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2008-09-04 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 (6 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-10570104-B2 Metabolically programmed metal chelators and uses thereof FECH, SLC19A1, SLC40A1 NPC1 382/4885RAB9A 954/4885ALDH1A1 181/4885
US-20180140581-A1 METABOLICALLY PROGRAMMED METAL CHELATORS AND USES THEREOF FECH, SLC19A1, SLC40A1 NPC1 382/4885RAB9A 954/4885ALDH1A1 181/4885
US-20170217912-A1 DESFERRITHIOCIN POLYETHER ANALOGUES SLC40A1, DNAJC10, FTH1 NPC1 449/4885RAB9A 1797/4885ALDH1A1 2588/4885
US-20080214630-A1 Oral bioavailability; minimal toxicity; low concentration in the kidneys after administration; reduce oxidative stress; (S)-4,5-Dihydro-2-[2-hydroxy-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-methyl-4-thiazolecarboxylic acid; condition responsive to chelation or sequestration of a trivalent metal SLC7A1, SLC19A1, SLC10A6 NPC1 1268/4885RAB9A 1698/4885ALDH1A1 364/4885
US-20100093812-A1 DESFERRITHIOCIN POLYETHER ANALOGUES SLC40A1, HAMP, FTH1 NPC1 1819/4885RAB9A 3667/4885ALDH1A1 4214/4885
US-20100137346-A1 DESFERRITHIOCIN ANALOGUE ACTINIDE DECORPORATION AGENTS TFRC, SLC40A1, FIBP NPC1 613/4885RAB9A 691/4885ALDH1A1 3340/4885

“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.