SCHEMBL4756724

SCHEMBL4756724

Cc1cccc(Cc2csc(NC(=O)c3cc(Cl)c(C)cc3O)n2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.45
RAB9A P51151 6/20 0.45
GAA P10253 2/20 0.45
HSD17B10 Q99714 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
RCE1 Q9Y256 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PDE5A O76074 4/20 0.45
PDE1A P54750 3/20 0.45
PDE1B Q01064 3/20 0.45
PDE1C Q14123 3/20 0.45
GCK P35557 2/20 0.43
GRM5 P41594 2/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL10131687 0.79 NPC1 (0.44) NPC1RAB9AGAAHSD17B10KDM4E
SCHEMBL4757222 0.70 PDE5A (0.43) NPC1RAB9AGAAHSD17B10KDM4E
SCHEMBL2753300 0.70 MEN1 (0.52) NPC1RAB9AGAAHSD17B10KDM4E
SCHEMBL4757054 0.70 PDE5A (0.47) NPC1RAB9AHSD17B10ALDH1A1TP53
SCHEMBL14886015 0.67 GCK (0.75) NPC1RAB9AGAAHSD17B10KDM4E
SCHEMBL27771472 0.66 NPC1 (0.80) NPC1RAB9AGAAHSD17B10KDM4E
SCHEMBL91521 0.65 PDE5A (0.59) NPC1RAB9AGAAHSD17B10KDM4E
Benzene SCHEMBL4261158 0.65 SORT1 (0.55) NPC1RAB9AGAAHSD17B10KDM4E
SCHEMBL4757358 0.65 MAPT (0.50) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL29682864 0.64 NPC1 (0.53) NPC1RAB9AGAAHSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895752-B2 Alkylsulfonyl-substituted thiazolide compounds ROMARK LABORATORIES L.C. (US) 2014-11-25 US disclosed
US-20120122939-A1 ALKYLSULFONYL-SUBSTITUTED THIAZOLIDE COMPOUNDS ROMARK LABORATORIES, L.C. 2012-05-17 US disclosed
US-8124632-B2 Alkylsulfonyl-substituted thiazolide compounds ROMARK LABORATORIES, L.C. (US) 2012-02-28 US disclosed
US-20090036467-A1 ALKYLSULFONYL-SUBSTITUTED THIAZOLIDE COMPOUNDS ROMARK LABORATORIES L.C. 2009-02-05 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 (2 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-20120122939-A1 ALKYLSULFONYL-SUBSTITUTED THIAZOLIDE COMPOUNDS HAVCR2, EIF2AK2, AADAC NPC1 585/4885RAB9A 1694/4885GAA 1319/4885
US-20090036467-A1 ALKYLSULFONYL-SUBSTITUTED THIAZOLIDE COMPOUNDS HAVCR2, EIF2AK2, AADAC NPC1 585/4885RAB9A 1694/4885GAA 1319/4885

“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.