Sugi Predict

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SCHEMBL4756076

SCHEMBL4756076

CC(C)CCS(=O)(=O)Nc1cnc(NC(=O)c2cccc(OS(C)(=O)=O)c2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.41
▸ RAB9A P51151 6/20 0.41
▸ SMN1; SMN2 Q16637 5/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ G6PD P11413 1/20 0.41
▸ NR1H4 Q96RI1 2/20 0.41
▸ SCD O00767 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HPGD P15428 2/20 0.40
▸ MAPT P10636 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CCNE1 P24864 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ CDK5 Q00535 1/20 0.39
▸ HTT P42858 2/20 0.39

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
SCHEMBL4756132 0.80 CCNE1 (0.63) NPC1RAB9ASMN1; SMN2ALDH1A1G6PD
SCHEMBL4930111 0.77 CCNE1 (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1G6PD
SCHEMBL4755961 0.77 NPC1 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1G6PD
SCHEMBL4756089 0.77 SCD (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1G6PD
SCHEMBL4756028 0.76 NPC1 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1G6PD
SCHEMBL4936103 0.76 NPC1 (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1G6PD
SCHEMBL4756065 0.74 SMN1; SMN2 (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1SCD
SCHEMBL4756095 0.73 NPC1 (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1G6PD
SCHEMBL4755922 0.71 RAB9A (0.71) NPC1RAB9ASMN1; SMN2ALDH1A1SCD
SCHEMBL23934151 0.70 NPC1 (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1G6PD

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 6 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-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 1694/4885SMN1; SMN2 3410/4885
US-20090036467-A1 ALKYLSULFONYL-SUBSTITUTED THIAZOLIDE COMPOUNDS HAVCR2, EIF2AK2, AADAC NPC1 585/4885RAB9A 1694/4885SMN1; SMN2 3410/4885

“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.