SCHEMBL12850776

SCHEMBL12850776

COCCOc1ccc(C2=N[C@@H](C(=O)O)CS2)c(O)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 2/20 0.43
GPR35 Q9HC97 1/20 0.42
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
CHEK2 O96017 2/20 0.36
SLC22A12 Q96S37 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
CHEK1 O14757 1/20 0.34
PPARD Q03181 1/20 0.34
MAOB P27338 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34

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
SCHEMBL12850779 0.97 HTR2B (0.40) HTR2BGPR35MAPTTSHRCHEK2
SCHEMBL26121507 0.97 HTR2B (0.40) HTR2BGPR35MAPTTSHRCHEK2
SCHEMBL21515798 0.97 HTR2B (0.40) HTR2BGPR35MAPTTSHRCHEK2
SCHEMBL21515889 0.97 HTR2B (0.40) HTR2BGPR35MAPTTSHRCHEK2
SCHEMBL12850797 0.97 HTR2B (0.40) HTR2BGPR35MAPTTSHRCHEK2
SCHEMBL20180855 0.93 HTR2B (0.41) HTR2BGPR35MAPTTSHRPPARD
SCHEMBL18499306 0.91 HTR2B (0.43) HTR2BMAPTTSHRCHEK2HSP90AA1
SCHEMBL18189564 0.90 MAPT (0.44) HTR2BGPR35MAPTTSHR
SCHEMBL18189563 0.90 MAPT (0.44) HTR2BGPR35MAPTTSHR
SCHEMBL18499307 0.88 HTR2B (0.40) HTR2BMAPTTSHRCHEK2CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9994535-B2 Desferrithiocin polyether analogues UNIVERSITY OF FLORIDA FOUNDATION, INC. (US) 2018-06-12 US disclosed
US-9994535-B2 Desferrithiocin polyether analogues UNIVERSITY OF FLORIDA FOUNDATION, INC. (US) 2018-06-12 US disclosed
US-20170217912-A1 DESFERRITHIOCIN POLYETHER ANALOGUES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2017-08-03 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
US-9567309-B2 Desferrithiocin polyether analogues UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2017-02-14 US disclosed
US-20150336911-A1 DESFERRITHIOCIN POLYETHER ANALOGUES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-11-26 US disclosed
US-20150336911-A1 DESFERRITHIOCIN POLYETHER ANALOGUES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-11-26 US disclosed
US-9096553-B2 Desferrithiocin polyether analogues UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2015-08-04 US disclosed
US-20140235680-A1 DESFERRITHIOCIN POLYETHER ANALOGUES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2014-08-21 US disclosed
US-20140235680-A1 DESFERRITHIOCIN POLYETHER ANALOGUES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2014-08-21 US disclosed
US-8722899-B2 Desferrithiocin polyether analogues UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2014-05-13 US disclosed
US-8722899-B2 Desferrithiocin polyether analogues UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2014-05-13 US disclosed
US-20130030028-A1 DESFERRITHIOCIN POLYETHER ANALOGUES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2013-01-31 US disclosed
US-20130030028-A1 DESFERRITHIOCIN POLYETHER ANALOGUES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2013-01-31 US disclosed
US-8278458-B2 Desferrithiocin polyether analogues UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-10-02 US disclosed
US-8278458-B2 Desferrithiocin polyether analogues UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-10-02 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
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 (5 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-20130030028-A1 DESFERRITHIOCIN POLYETHER ANALOGUES SLC40A1, DNAJC10, FTH1 HTR2B 4638/4885GPR35 4385/4885MAPT 1849/4885
US-20150336911-A1 DESFERRITHIOCIN POLYETHER ANALOGUES SLC40A1, DNAJC10, FTH1 HTR2B 4638/4885GPR35 4385/4885MAPT 1849/4885
US-20170217912-A1 DESFERRITHIOCIN POLYETHER ANALOGUES SLC40A1, DNAJC10, FTH1 HTR2B 4638/4885GPR35 4385/4885MAPT 1849/4885
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 HTR2B 3212/4885GPR35 2803/4885MAPT 2950/4885
US-20140235680-A1 DESFERRITHIOCIN POLYETHER ANALOGUES SLC40A1, DNAJC10, FTH1 HTR2B 4638/4885GPR35 4385/4885MAPT 1849/4885

“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.