SCHEMBL3332934

SCHEMBL3332934

COc1ccc(C2=NC(C)(C(=O)O)CS2)c(O)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 5/20 0.38
HPGD P15428 3/20 0.38
LMNA P02545 3/20 0.36
POLB P06746 2/20 0.36
MAPK1 P28482 2/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HDAC4 P56524 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TUBB4A P04350 2/20 0.33
TUBB P07437 2/20 0.33
TUBA3C P0DPH7 2/20 0.33

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
SCHEMBL3332924 1.00 MAPT (0.43) MAPTTDP1KDM4EHPGDLMNA
SCHEMBL6314505 0.84 KDM4E (0.41) MAPTKDM4EHPGDLMNAMAPK1
SCHEMBL6314507 0.84 KDM4E (0.41) MAPTKDM4EHPGDLMNAMAPK1
SCHEMBL3301483 0.78 NPC1 (0.40) MAPTKDM4EHPGDLMNAPOLB
SCHEMBL3301476 0.78 NPC1 (0.40) MAPTKDM4EHPGDLMNAPOLB
SCHEMBL6321996 0.76 HTR2B (0.35) MAPTTDP1KDM4EHPGDLMNA
SCHEMBL3300121 0.76 HTR2B (0.35) MAPTTDP1KDM4EHPGDLMNA
SCHEMBL11963386 0.74 ALDH1A1 (0.37) KDM4EHPGDALDH1A1HSD17B10MEN1
SCHEMBL3303995 0.74 NPC1 (0.40) MAPTKDM4EHPGDLMNAMAPK1
SCHEMBL3303985 0.74 NPC1 (0.40) MAPTKDM4EHPGDLMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137346-A1 DESFERRITHIOCIN ANALOGUE ACTINIDE DECORPORATION AGENTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2010-06-03 US disclosed
EP-2101764-A2 DESFERRITHIOCIN ANALOGUE ACTINIDE DECORPORATION AGENTS UNIVERSITY OF FLORIDA (US) 2009-09-23 EP disclosed
WO-2008130395-A2 DESFERRITHIOCIN ANALOGUE ACTINIDE DECORPORATION AGENTS UNIVERSITY OF FLORIDA (US) 2008-10-30 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 (1 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-20100137346-A1 DESFERRITHIOCIN ANALOGUE ACTINIDE DECORPORATION AGENTS TFRC, SLC40A1, FIBP MAPT 1354/4885TDP1 3081/4885KDM4E 4628/4885

“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.