SCHEMBL3305343

SCHEMBL3305343

CC1N=C(c2ccccc2O)S[C@@H]1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 13/20 0.51
HTR2C P28335 7/20 0.51
HTR1D P28221 4/20 0.41
HTR3A P46098 4/20 0.41
HTR2A P28223 3/20 0.41
HTR6 P50406 2/20 0.41
HTR7 P34969 1/20 0.41
HTR1E P28566 3/20 0.38
HTR5A P47898 1/20 0.38
MAPT P10636 1/20 0.37
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
BCL2L1 Q07817 1/20 0.35
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 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
SCHEMBL12469329 0.79 HTR2B (0.58) HTR2BHTR2CHTR1DHTR3AHTR2A
SCHEMBL15423915 0.73 HTR2B (0.44) HTR2BHTR2CHTR1DHTR3AHTR2A
SCHEMBL3372129 0.69 HTR2B (0.46) HTR2BHTR2CMAPTHSD17B10ALDH1A1
SCHEMBL3329469 0.69 HTR2B (0.43) HTR2BHTR2CHTR1DHTR3AHTR2A
Pulicatin A SCHEMBL19307974 0.68 HTR2B (1.00) HTR2BHTR2CHTR1DHTR3AHTR2A
Pulicatin A SCHEMBL15412607 0.68 HTR2B (1.00) HTR2BHTR2CHTR1DHTR3AHTR2A
Pulicatin A SCHEMBL15423013 0.68 HTR2B (1.00) HTR2BHTR2CHTR1DHTR3AHTR2A
Pulicatin A SCHEMBL15412524 0.68 HTR2B (1.00) HTR2BHTR2CHTR1DHTR3AHTR2A
SCHEMBL1686982 0.68 HTR2B (0.76) HTR2BHTR2CHTR1DHTR3AHTR7
SCHEMBL30608416 0.68 HTR2B (0.76) HTR2BHTR2CHTR1DHTR3AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9730917-B2 Desferrithiocin polyether analogues UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2017-08-15 US 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-9174948-B2 Desferrithiocin polyether analogues UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-11-03 US disclosed
US-20130210870-A1 DESFERRITHIOCIN POLYETHER ANALOGUES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2013-08-15 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
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

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-20160022645-A1 DESFERRITHIOCIN POLYETHER ANALOGUES HAMP, SLC40A1, FTH1 HTR2B 3611/4885HTR2C 3994/4885HTR1D 3694/4885
US-20100093812-A1 DESFERRITHIOCIN POLYETHER ANALOGUES SLC40A1, HAMP, FTH1 HTR2B 3792/4885HTR2C 3961/4885HTR1D 3650/4885
US-20130210870-A1 DESFERRITHIOCIN POLYETHER ANALOGUES HAMP, SLC40A1, FTH1 HTR2B 3611/4885HTR2C 3994/4885HTR1D 3694/4885

“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.