SCHEMBL3303995

SCHEMBL3303995

COc1ccc(O)c(C2=NC(C)(C(=O)O)CS2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.40
GAA P10253 6/20 0.40
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MAPT P10636 4/20 0.40
RAB9A P51151 4/20 0.40
ALOX15 P16050 4/20 0.40
HPGD P15428 3/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 5/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
NOD2 Q9HC29 1/20 0.39
GRK6 P43250 1/20 0.38
GUSB P08236 1/20 0.38
NOS2 P35228 2/20 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
SCHEMBL3303985 1.00 NPC1 (0.40) NPC1GAAMEN1KMT2ASMN1; SMN2
SCHEMBL3301483 0.91 NPC1 (0.40) NPC1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL3301476 0.91 NPC1 (0.40) NPC1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL11963474 0.86 SLC22A12 (0.38)
SCHEMBL13390767 0.85 TSHR (0.42) NPC1GAAMEN1KMT2AMAPT
SCHEMBL3305314 0.84 MAPT (0.36) NPC1GAAMAPTHPGDALDH1A1
SCHEMBL5525608 0.84 MAPT (0.36) NPC1GAAMAPTHPGDALDH1A1
SCHEMBL11963295 0.84 SLC22A12 (0.37) KDM4E
SCHEMBL11963298 0.84 SLC22A12 (0.37) KDM4E
SCHEMBL3302488 0.84 SLC22A12 (0.37) KDM4E

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 NPC1 1538/4885GAA 4573/4885MEN1 1113/4885
US-20100093812-A1 DESFERRITHIOCIN POLYETHER ANALOGUES SLC40A1, HAMP, FTH1 NPC1 1819/4885GAA 4420/4885MEN1 1267/4885
US-20130210870-A1 DESFERRITHIOCIN POLYETHER ANALOGUES HAMP, SLC40A1, FTH1 NPC1 1538/4885GAA 4573/4885MEN1 1113/4885

“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.