SCHEMBL6175757

SCHEMBL6175757

O=[N+]([O-])c1cc2sc(S)nc2cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
PGK1 P00558 1/20 0.44
LMNA P02545 1/20 0.43
ALDH1A1 P00352 4/20 0.41
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.39
CYP3A4 P08684 2/20 0.38
MAPT P10636 5/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GLP1R P43220 1/20 0.35
VCAM1 P19320 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EGLN1 Q9GZT9 1/20 0.34
FSCN1 Q16658 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL4253791 0.81 SMN1; SMN2 (0.55) GAAPGK1LMNAALDH1A1MAPK1
SCHEMBL30753190 0.81 SMN1; SMN2 (0.55) GAAPGK1LMNAALDH1A1MAPK1
SCHEMBL30973163 0.81 GAA (0.68) GAAPGK1LMNAALDH1A1TSHR
SCHEMBL9455529 0.78 LMNA (0.52) GAAPGK1LMNAALDH1A1TSHR
SCHEMBL3089621 0.77 SMN1; SMN2 (0.35) GAALMNAALDH1A1TSHRMAPK1
SCHEMBL9307163 0.73 GAA (0.41) GAAPGK1LMNAALDH1A1TSHR
SCHEMBL1247145 0.71 SMN1; SMN2 (0.67) ALDH1A1TSHRCYP3A4MAPTHTT
SCHEMBL2002714 0.71 RIPK1 (0.52) ALDH1A1TSHRMAPK1CYP3A4MAPT
SCHEMBL7029656 0.71 PGK1 (0.43) PGK1LMNAALDH1A1TSHRMAPK1
SCHEMBL29361660 0.71 RIPK1 (0.52) ALDH1A1TSHRMAPK1CYP3A4MAPT

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 GAA 4434/4885PGK1 993/4885LMNA 4663/4885

“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.