SCHEMBL4887083

SCHEMBL4887083

O=C(CI)c1ccc(S)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.61
HAO1 Q9UJM8 1/20 0.50
PTPN1 P18031 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC9 Q9UKV0 2/20 0.36
HDAC5 Q9UQL6 2/20 0.36
KDM4E B2RXH2 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL10020269 0.87 GSK3B (0.76) GSK3BPTPN1NPC1RAB9AHDAC3
SCHEMBL11974547 0.80 HAO1 (0.64) GSK3BHAO1PTPN1NPC1RAB9A
SCHEMBL9378151 0.78 HAO1 (0.52) GSK3BHAO1PTPN1NPC1RAB9A
SCHEMBL28443057 0.78 GSK3B (0.64) GSK3BPTPN1NPC1RAB9AKDM4E
SCHEMBL11695106 0.78 GSK3B (0.64) GSK3BPTPN1NPC1RAB9A
SCHEMBL11826389 0.78 HDAC3 (0.57) GSK3BHAO1PTPN1NPC1RAB9A
SCHEMBL8997450 0.76 GSK3B (0.61) GSK3BNPC1RAB9AKDM4ETDP1
SCHEMBL3119618 0.76 GSK3B (0.61) GSK3BNPC1RAB9AHDAC3HDAC4
SCHEMBL658726 0.76 GSK3B (0.64) GSK3BNPC1RAB9AKDM4EMAPT
SCHEMBL8772061 0.76 NPC1 (0.61) GSK3BPTPN1NPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194681-A1 Novel Inhibitors of Histone Deacetylase for the Treatment of Disease KALYPSYS, INC. (US) 2008-08-14 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 (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-20080194681-A1 Novel Inhibitors of Histone Deacetylase for the Treatment of Disease HDAC1, HDAC10, HDAC6 GSK3B 907/4885HAO1 2777/4885PTPN1 3420/4885

“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.