SCHEMBL2699680

SCHEMBL2699680

CC(C)[S+]([O-])c1cnc(NC(=O)c2ccccc2O)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 5/20 0.57
▸ NPC1 O15118 9/20 0.49
▸ RAB9A P51151 8/20 0.49
▸ MEN1 O00255 8/20 0.49
▸ KMT2A Q03164 8/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ HTT P42858 6/20 0.46
▸ TP53 P04637 5/20 0.46
▸ HSD17B10 Q99714 5/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ HPGD P15428 4/20 0.46
▸ GAA P10253 2/20 0.46
▸ RCE1 Q9Y256 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ CCNE1 P24864 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ CDK5 Q00535 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ LMNA P02545 5/20 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
SCHEMBL2696417 0.86 STAT3 (0.60) STAT3NPC1RAB9AMEN1KMT2A
SCHEMBL2698265 0.83 STAT3 (0.57) STAT3NPC1RAB9AMEN1KMT2A
SCHEMBL2697854 0.83 MEN1 (0.62) STAT3NPC1RAB9AMEN1KMT2A
SCHEMBL2696650 0.82 STAT3 (0.58) STAT3NPC1RAB9AMEN1KMT2A
SCHEMBL2696756 0.80 STAT3 (0.53) STAT3NPC1RAB9AMEN1KMT2A
SCHEMBL2698244 0.79 STAT3 (0.55) STAT3NPC1RAB9AMEN1KMT2A
SCHEMBL2695734 0.77 STAT3 (0.53) STAT3NPC1RAB9AMEN1KMT2A
SCHEMBL16256828 0.77 STAT3 (0.64) STAT3NPC1RAB9AMEN1KMT2A
SCHEMBL2698761 0.76 NPC1 (0.62) STAT3NPC1RAB9AMEN1KMT2A
SCHEMBL19494919 0.75 KDM4E (0.43) NPC1RAB9AMEN1KMT2ARXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772502-B2 Alkylsulfinyl-substituted thiazolide compounds ROMARK LABORATORIES, L.C. (US) 2014-07-08 — — US disclosed
US-8772502-B2 Alkylsulfinyl-substituted thiazolide compounds ROMARK LABORATORIES, L.C. (US) 2014-07-08 — — US disclosed
US-8772502-B2 Alkylsulfinyl-substituted thiazolide compounds ROMARK LABORATORIES, L.C. (US) 2014-07-08 — — US disclosed
EP-2635124-A1 ALKYLSULFINYL-SUBSTITUTED THIAZOLIDE COMPOUNDS Romark Laboratories, L.C. (US) 2013-09-11 — — EP disclosed
WO-2012061190-A1 ALKYLSULFINYL-SUBSTITUTED THIAZOLIDE COMPOUNDS ROMARK LABORATORIES L.C. (US) 2012-05-10 — — WO disclosed
US-20120108591-A1 ALKYLSULFINYL-SUBSTITUTED THIAZOLIDE COMPOUNDS ROMARK LABORATORIES, L.C. 2012-05-03 — — US disclosed
US-20120108591-A1 ALKYLSULFINYL-SUBSTITUTED THIAZOLIDE COMPOUNDS ROMARK LABORATORIES, L.C. 2012-05-03 — — US disclosed
US-20120108591-A1 ALKYLSULFINYL-SUBSTITUTED THIAZOLIDE COMPOUNDS ROMARK LABORATORIES, L.C. 2012-05-03 — — 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-20120108591-A1 ALKYLSULFINYL-SUBSTITUTED THIAZOLIDE COMPOUNDS HAVCR2, EIF2AK2, HCCS STAT3 131/4885NPC1 316/4885RAB9A 1584/4885

“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.

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