SCHEMBL4756366

SCHEMBL4756366

COc1c(C)cccc1C(=O)Nc1nc(S(C)(=O)=O)cs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.53
RAB9A P51151 10/20 0.53
MAPK1 P28482 3/20 0.50
KDM4E B2RXH2 5/20 0.46
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
HSD17B10 Q99714 3/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 4/20 0.45
GAA P10253 3/20 0.45
HPGD P15428 2/20 0.45
HTT P42858 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
TP53 P04637 1/20 0.45
RCE1 Q9Y256 1/20 0.45
PDE5A O76074 1/20 0.45
PDE1A P54750 1/20 0.45
PDE1B Q01064 1/20 0.45
PDE1C Q14123 1/20 0.45
MEN1 O00255 4/20 0.44

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
SCHEMBL4756354 0.90 RAB9A (0.50) NPC1RAB9AMAPK1KDM4EMAPT
SCHEMBL4757043 0.87 NPC1 (0.70) NPC1RAB9AMAPK1KDM4EMAPT
SCHEMBL4756360 0.86 NPC1 (0.55) NPC1RAB9AMAPK1KDM4EMAPT
SCHEMBL4757082 0.85 NPC1 (0.54) NPC1RAB9AMAPK1KDM4EMAPT
SCHEMBL4757072 0.85 PDE5A (0.62) NPC1RAB9AMAPK1KDM4EMAPT
SCHEMBL4756379 0.83 RAB9A (0.57) NPC1RAB9AMAPK1KDM4EMAPT
SCHEMBL10113986 0.83 MAPK1 (0.49) NPC1RAB9AMAPK1KDM4EMAPT
SCHEMBL4757020 0.81 NPC1 (0.56) NPC1RAB9AMAPK1KDM4EMAPT
SCHEMBL703934 0.79 NPC1 (0.67) NPC1RAB9AMAPK1KDM4EMAPT
SCHEMBL12994116 0.79 KDM4E (0.48) NPC1RAB9AMAPK1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2178852-B9 ALKYLSULFONYL-SUBSTITUTED THIAZOLIDE COMPOUNDS ROMARK LAB LC (US) 2016-06-22 EP disclosed
EP-2178852-B1 ALKYLSULFONYL-SUBSTITUTED THIAZOLIDE COMPOUNDS ROMARK LAB LC (US) 2015-07-22 EP disclosed
US-8895752-B2 Alkylsulfonyl-substituted thiazolide compounds ROMARK LABORATORIES L.C. (US) 2014-11-25 US disclosed
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 1694/4885MAPK1 3595/4885
US-20090036467-A1 ALKYLSULFONYL-SUBSTITUTED THIAZOLIDE COMPOUNDS HAVCR2, EIF2AK2, AADAC NPC1 585/4885RAB9A 1694/4885MAPK1 3595/4885

“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.