SCHEMBL6176142

SCHEMBL6176142

COc1cc2sc(S)nc2cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
PGK1 P00558 6/20 0.43
GSK3B P49841 1/20 0.43
MAP4K2 Q12851 1/20 0.43
ALOX15 P16050 1/20 0.42
ATM Q13315 1/20 0.42
STING1 Q86WV6 4/20 0.39
GAA P10253 1/20 0.38
NQO2 P16083 1/20 0.37
ALDH1A1 P00352 2/20 0.35
HSP90AA1 P07900 2/20 0.35
HSP90AB1 P08238 2/20 0.35

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
SCHEMBL6173830 0.86 STING1 (0.48) NPC1RAB9AKMT2APGK1ALOX15
SCHEMBL21395441 0.81 NPC1 (0.46) NPC1RAB9AKMT2APGK1GSK3B
SCHEMBL14970154 0.81 ALOX15 (0.62) NPC1RAB9AKMT2APGK1GSK3B
SCHEMBL7679151 0.80 CYP3A4 (0.53) NPC1RAB9AKMT2APGK1GSK3B
SCHEMBL29741763 0.80 CYP3A4 (0.53) NPC1RAB9AKMT2APGK1GSK3B
SCHEMBL3089621 0.80 SMN1; SMN2 (0.35) NPC1RAB9AKMT2AATMGAA
SCHEMBL10220044 0.78 NPC1 (0.44) NPC1RAB9AKMT2APGK1GSK3B
SCHEMBL10271517 0.78 NPC1 (0.61) NPC1RAB9AKMT2APGK1GSK3B
SCHEMBL12312873 0.76 PGK1 (0.47) NPC1RAB9AKMT2APGK1GSK3B
SCHEMBL21091211 0.73 CYP3A4 (0.53) NPC1RAB9APGK1GSK3BMAP4K2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1205472-B1 Process for the preparation of dithiazolyldisulfides BAYER AG (DE) 2005-01-26 EP disclosed
US-6610857-B2 Oxidation of 2-mercaptothiazoles with peroxidic compounds in an aqueous suspension BAYER AKTIENGESELLSCHAFT (DE) 2003-08-26 US disclosed
EP-1205472-A1 Process for the preparation of dithiazolyldisulfides BAYER AG (DE) 2002-05-15 EP disclosed
US-20020055640-A1 Process for the production of dithiazolyl disulfides LANXESS DEUTSCHLAND GMBH (DE) 2002-05-09 US disclosed
US-6248896-B1 APPROPRIATELY SUBSTITUTED 2-MERCAPTOTHIAZOLE IS OXIDIZED WITH OXYGEN OR AN OXYGEN-CONTAINING GAS IN THE PRESENCE OF A SOLVENT AND A TERTIARY AMINE AND IRON HEMIPORPHYRAZINE. BAYER AKTIENGESELLSCHAFT (DE) 2001-06-19 US disclosed
US-6124467-A Process for the preparation of dithiazolyl disulfides BAYER AKTIENGESELLSCHAFT (DE) 2000-09-26 US disclosed
EP-1008591-A1 Process for the preparation of dithiazolyldisulfides Bayer Aktiengesellschaft (DE) 2000-06-14 EP disclosed
US-5436346-A Process for the preparation of benzothiazolyl-2-sulphenamides AKZO NOBEL N.V. (NL) 1995-07-25 US disclosed
US-5124450-A Reacting solution of 2-mercaptothiazole, saturated secondary heterocyclic amine, sulfur in presence of oxygen, ammonia, copper or cerium catalyst AKZO N.V. (NL) 1992-06-23 US disclosed
EP-0481366-A1 Process for the preparation of 2-Aminodithiothiazoles and 2-Aminotrithiothiazoles Akzo Nobel N.V. (NL) 1992-04-22 EP disclosed
EP-0131776-B1 PROCESS FOR THE PREPARATION OF THIAZOLE-2-SULFENAMIDES Akzo Patente GmbH (DE) 1990-02-28 EP disclosed
US-4670556-A BY-PRODUCT INHIBITION AKZO NV (NL) 1987-06-02 US disclosed
US-4558135-A AMMONIA CATALYST AKZONA INCORPORATED (US) 1985-12-10 US disclosed
EP-0131776-A2 Process for the preparation of thiazole-2-sulfenamides Akzo Patente GmbH (DE) 1985-01-23 EP disclosed
US-4307236-A BY CATALYTIC OXIDATION OF 2-MERCAPTO THIAZOLES AKZONA INCORPORATED (US) 1981-12-22 US disclosed
US-4182873-A AMINATION OF MERCAPTO THIAZOLE OR DISULFIDE RHONE-POULENC S.A. (FR) 1980-01-08 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-20020055640-A1 Process for the production of dithiazolyl disulfides GPX4, PRDX3, PRDX2 NPC1 4281/4885RAB9A 4533/4885KMT2A 3343/4885

“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.