SCHEMBL4756028

SCHEMBL4756028

CS(=O)(=O)Oc1cccc(C(=O)Nc2ncc(C#N)s2)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.47
RAB9A P51151 6/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
GCK P35557 2/20 0.47
P2RY2 P41231 1/20 0.47
GPR17 Q13304 1/20 0.47
PDE10A Q9Y233 1/20 0.45
SCD O00767 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 1/20 0.43
ALDH1A1 P00352 1/20 0.43
G6PD P11413 1/20 0.43
DHODH Q02127 1/20 0.43
TP53 P04637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL4755961 0.84 NPC1 (0.48) NPC1RAB9AMEN1KMT2AGCK
SCHEMBL4756132 0.83 CCNE1 (0.63) NPC1RAB9AMEN1KMT2AGCK
SCHEMBL4936103 0.83 NPC1 (0.45) NPC1RAB9AMEN1KMT2AGCK
SCHEMBL4756089 0.82 SCD (0.52) NPC1RAB9AMEN1KMT2AGCK
SCHEMBL4756095 0.80 NPC1 (0.45) NPC1RAB9AMEN1KMT2AGCK
SCHEMBL4756065 0.79 SMN1; SMN2 (0.50) NPC1RAB9AGCKSCDSMN1; SMN2
SCHEMBL4930111 0.79 CCNE1 (0.52) NPC1RAB9AMEN1KMT2ASCD
SCHEMBL4755922 0.77 RAB9A (0.71) NPC1RAB9AMEN1KMT2ASCD
SCHEMBL4756076 0.76 NPC1 (0.41) NPC1RAB9AMEN1KMT2AGCK
SCHEMBL4755989 0.74 SMN1; SMN2 (0.48) NPC1RAB9AMEN1KMT2ASCD

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-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-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-8124632-B2 Alkylsulfonyl-substituted thiazolide compounds ROMARK LABORATORIES, L.C. (US) 2012-02-28 US disclosed
WO-2009035788-A1 ALKYLSULFONYL-SUBSTITUTED THIAZOLIDE COMPOUNDS ROMARK LABORATORIES L.C. (US) 2009-03-19 WO disclosed
US-20090036467-A1 ALKYLSULFONYL-SUBSTITUTED THIAZOLIDE COMPOUNDS ROMARK LABORATORIES L.C. 2009-02-05 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 1694/4885MEN1 4564/4885
US-20090036467-A1 ALKYLSULFONYL-SUBSTITUTED THIAZOLIDE COMPOUNDS HAVCR2, EIF2AK2, AADAC NPC1 585/4885RAB9A 1694/4885MEN1 4564/4885

“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.