SCHEMBL3300121

SCHEMBL3300121

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 3/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP2D6 P10635 1/20 0.34
FTO Q9C0B1 1/20 0.31
MAOA P21397 2/20 0.31
CYP1A2 P05177 1/20 0.31
HIF1A Q16665 1/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
MAOB P27338 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
MGAM O43451 1/20 0.30

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
SCHEMBL6321996 1.00 HTR2B (0.35) HTR2BALDH1A1HPGDKDM4ECYP2D6
SCHEMBL1534233 0.89 HTR2B (0.44) HTR2BALDH1A1HPGDKDM4ECYP2D6
SCHEMBL11963386 0.88 ALDH1A1 (0.37) HTR2BALDH1A1HPGDKDM4ECYP2D6
SCHEMBL13408657 0.84 PDCD1 (0.33)
SCHEMBL6314505 0.84 KDM4E (0.41) ALDH1A1HPGDKDM4EHIF1ALMNA
SCHEMBL6314507 0.84 KDM4E (0.41) ALDH1A1HPGDKDM4EHIF1ALMNA
SCHEMBL3304049 0.82 CA12 (0.38) ALDH1A1HPGDKDM4EMAOACYP1A2
SCHEMBL6986273 0.80 HTR2B (0.34) HTR2BALDH1A1HPGDKDM4ECYP2D6
SCHEMBL13390599 0.80 TP53 (0.36) ALDH1A1HIF1AMAPTTSHRSMN1; SMN2
SCHEMBL6315750 0.80 HTR2B (0.39) HTR2BALDH1A1HPGDKDM4ECYP2D6

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 28 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
US-20180140581-A1 METABOLICALLY PROGRAMMED METAL CHELATORS AND USES THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2018-05-24 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-9730917-B2 Desferrithiocin polyether analogues UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2017-08-15 US disclosed
WO-2016176343-A1 METABOLICALLY PROGRAMMED METAL CHELATORS AND USES THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2016-11-03 WO disclosed
EP-2137170-B1 DESFERRITHIOCIN POLYETHER ANALOGUES UNIV FLORIDA (US) 2016-03-09 EP disclosed
US-20160022645-A1 DESFERRITHIOCIN POLYETHER ANALOGUES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2016-01-28 US disclosed
US-20160022645-A1 DESFERRITHIOCIN POLYETHER ANALOGUES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2016-01-28 US disclosed
US-8324397-B2 Desferrithiocin polyether analogues UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-12-04 US disclosed
US-8324397-B2 Desferrithiocin polyether analogues UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-12-04 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
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
WO-2008115433-A1 DESFERRITHIOCIN POLYETHER ANALOGUES UNIVERSITY OF FLORIDA (US) 2008-09-25 WO disclosed
US-6894170-B2 Process for the preparation of substituted thiazolines and their intermediates DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2005-05-17 US disclosed
US-20050101782-A1 Process for the preparation of substituted thiazolines and their intermediates KRICH SYLVIA (AT) 2005-05-12 US disclosed
US-20030088105-A1 Process for the preparation of substituted thiazolines and their intermediates DSM FINE CHEMICALS AUSTRIA NFG GMBH & COKG (AT) 2003-05-08 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-20160022645-A1 DESFERRITHIOCIN POLYETHER ANALOGUES HAMP, SLC40A1, FTH1 HTR2B 3611/4885ALDH1A1 4405/4885HPGD 3297/4885
US-10570104-B2 Metabolically programmed metal chelators and uses thereof FECH, SLC19A1, SLC40A1 HTR2B 2007/4885ALDH1A1 181/4885HPGD 208/4885
US-20180140581-A1 METABOLICALLY PROGRAMMED METAL CHELATORS AND USES THEREOF FECH, SLC19A1, SLC40A1 HTR2B 2007/4885ALDH1A1 181/4885HPGD 208/4885
US-20030088105-A1 Process for the preparation of substituted thiazolines and their intermediates CBR1, RCOR1, MT-CO1 HTR2B 1051/4885ALDH1A1 106/4885HPGD 1361/4885
US-20100093812-A1 DESFERRITHIOCIN POLYETHER ANALOGUES SLC40A1, HAMP, FTH1 HTR2B 3792/4885ALDH1A1 4214/4885HPGD 3243/4885
US-20050101782-A1 Process for the preparation of substituted thiazolines and their intermediates CBR1, CBR3, MT-CO1 HTR2B 1135/4885ALDH1A1 95/4885HPGD 840/4885

“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.