SCHEMBL6176532

SCHEMBL6176532

Sc1nc(-c2cccc(Cl)c2)cs1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.59
ATP4A P20648 2/20 0.56
ATP4B P51164 2/20 0.56
ABL1 P00519 1/20 0.54
MAPT P10636 3/20 0.51
RAB9A P51151 2/20 0.51
KDM1A O60341 2/20 0.51
MAOA P21397 2/20 0.51
NPC1 O15118 1/20 0.51
GAA P10253 1/20 0.51
MAPK1 P28482 1/20 0.51
GLA P06280 1/20 0.50
GSTO1 P78417 1/20 0.50
CFTR P13569 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A1 P04798 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP1B1 Q16678 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL9955024 0.82 CYP19A1 (0.67) CYP19A1ATP4AATP4BABL1MAPT
SCHEMBL1804064 0.81 MAPT (0.65) CYP19A1ATP4AATP4BABL1MAPT
SCHEMBL3765806 0.81 CYP19A1 (0.60) CYP19A1ATP4AATP4BABL1MAPT
SCHEMBL28932584 0.79 KDM4E (0.68) MAPTRAB9AGAASMN1; SMN2CYP1A1
SCHEMBL982911 0.79 RECQL (0.66) CYP19A1ATP4AATP4BABL1MAPT
SCHEMBL27703492 0.79 TSHR (0.66) MAPTRAB9AMAOANPC1GLA
SCHEMBL3185335 0.78 RAB9A (0.56) CYP19A1ABL1MAPTRAB9AKDM1A
SCHEMBL178051 0.77 ALDH1A1 (0.61) ATP4AATP4BMAPTRAB9ANPC1
SCHEMBL22815712 0.77 ABL1 (0.52) ABL1MAPTRAB9ANPC1GAA
SCHEMBL12293307 0.76 CYP19A1 (0.55) CYP19A1ATP4AATP4BABL1MAPT

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 11 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-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
US-4558135-A AMMONIA CATALYST AKZONA INCORPORATED (US) 1985-12-10 US disclosed
US-4307236-A BY CATALYTIC OXIDATION OF 2-MERCAPTO THIAZOLES AKZONA INCORPORATED (US) 1981-12-22 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 CYP19A1 3137/4885ATP4A 4428/4885ATP4B 4142/4885

“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.