SCHEMBL6314505

SCHEMBL6314505

COc1cccc(C2=N[C@@](C)(C(=O)O)CS2)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
PKM P14618 1/20 0.41
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GUSB P08236 1/20 0.39
HIF1A Q16665 4/20 0.38
MAPT P10636 7/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
MAPK1 P28482 1/20 0.37
CNR2 P34972 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
SCHEMBL6314507 1.00 KDM4E (0.41) KDM4EPKMALDH1A1MEN1KMT2A
SCHEMBL11963453 0.86 KDM4E (0.34) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL13390599 0.85 TP53 (0.36) ALDH1A1MEN1KMT2ASMN1; SMN2HIF1A
SCHEMBL6321996 0.84 HTR2B (0.35) KDM4EALDH1A1SMN1; SMN2HIF1AMAPT
SCHEMBL3300121 0.84 HTR2B (0.35) KDM4EALDH1A1SMN1; SMN2HIF1AMAPT
SCHEMBL3332924 0.84 MAPT (0.43) KDM4EALDH1A1MEN1KMT2ANPC1
SCHEMBL3332934 0.84 MAPT (0.43) KDM4EALDH1A1MEN1KMT2ANPC1
SCHEMBL15047737 0.84 LMNA (0.30) LMNA
SCHEMBL1317324 0.84 KMT2A (0.37) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL11963399 0.84 KMT2A (0.37) KDM4EALDH1A1MEN1KMT2ASMN1; 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 10 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
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
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 (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-20160022645-A1 DESFERRITHIOCIN POLYETHER ANALOGUES HAMP, SLC40A1, FTH1 KDM4E 1878/4885PKM 2522/4885ALDH1A1 4405/4885
US-20030088105-A1 Process for the preparation of substituted thiazolines and their intermediates CBR1, RCOR1, MT-CO1 KDM4E 4453/4885PKM 4388/4885ALDH1A1 106/4885
US-20100093812-A1 DESFERRITHIOCIN POLYETHER ANALOGUES SLC40A1, HAMP, FTH1 KDM4E 1655/4885PKM 2297/4885ALDH1A1 4214/4885
US-20050101782-A1 Process for the preparation of substituted thiazolines and their intermediates CBR1, CBR3, MT-CO1 KDM4E 4582/4885PKM 4332/4885ALDH1A1 95/4885
US-20130210870-A1 DESFERRITHIOCIN POLYETHER ANALOGUES HAMP, SLC40A1, FTH1 KDM4E 1878/4885PKM 2522/4885ALDH1A1 4405/4885

“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.