SCHEMBL918050

SCHEMBL918050

CC(CO)SC(O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 1/20 0.40
TP53 P04637 1/20 0.39
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 2/20 0.33
CYP2C9 P11712 1/20 0.33
PDE4A P27815 1/20 0.33
USP2 O75604 1/20 0.31
SLCO1B1 Q9Y6L6 1/20 0.31
TGFBR1 P36897 1/20 0.30
RNPEP Q9H4A4 1/20 0.30
CYP1A2 P05177 1/20 0.30
SLC7A5 Q01650 1/20 0.30
GABRR1 P24046 1/20 0.30

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
SCHEMBL9140383 0.87 OR51E2 (0.31) OR51E2TP53TDP1
SCHEMBL4892112 0.76 TP53 (0.35) TP53
SCHEMBL27299236 0.75
SCHEMBL1403754 0.74
SCHEMBL589943 0.74
Methyl Alcohol SCHEMBL9810522 0.73 TP53 (0.44) OR51E2TP53TDP1TSHRSLC7A5
SCHEMBL4892191 0.73 TP53 (0.32) TP53TSHR
SCHEMBL2553210 0.73
SCHEMBL41377 0.73 TSHR (0.44) OR51E2TP53TDP1TSHRCYP2C9
SCHEMBL11358490 0.70

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 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2677996-B1 COMPOSITION FOR DYEING KERATINOUS FIBRES COMPRISING A DIRECT DYE HAVING A DISULPHIDE/THIOL FUNCTIONAL GROUP, A THICKENING POLYMER, AN ETHOXYLATED FATTY ALCOHOL AND/OR A NONIONIC SURFACTANT, AN ALKALINE AGENT AND A REDUCING AGENT L'ORÉAL (FR) 2017-11-29 EP claimed
EP-2070514-B1 Method for long-lasting hair treatment of fibre in four steps L'ORÉAL (FR) 2017-04-12 EP claimed
US-20140075687-A1 COMPOSITION FOR DYEING KERATINOUS FIBRES COMPRISING A DIRECT DYE HAVING A DISULPHIDE/THIOL FUNCTIONAL GROUP, A THICKENING POLYMER, AN ETHOXYLATED FATTY ALCOHOL AND/OR A NONIONIC SURFACTANT, AN ALKALINE AGENT AND A REDUCING AGENT L'OREAL (FR) 2014-03-20 US claimed
EP-1671622-B2 Hair protein assay method OREAL (FR) 2013-04-10 EP claimed
WO-2012113720-A2 COMPOSITION FOR DYEING KERATINOUS FIBRES COMPRISING A DIRECT DYE HAVING A DISULPHIDE/THIOL FUNCTIONAL GROUP, A THICKENING POLYMER, AN ETHOXYLATED FATTY ALCOHOL AND/OR A NONIONIC SURFACTANT, AN ALKALINE AGENT AND A REDUCING AGENT L'OREAL (FR) 2012-08-30 WO claimed
US-20100209375-A1 PROCESS FOR TREATING KERATIN FIBERS WITH AT LEAST ONE HETEROCYCLIC DISULFIDE ENTITY IN THE PRESENCE OF AT LEAST ONE REDUCING AGENT, OPTIONALLY HEAT, AND OPTIONALLY AT ALKALINE PH. L'OREAL S.A. (FR) 2010-08-19 US claimed
EP-1671622-B1 Hair protein assay method OREAL (FR) 2009-04-08 EP claimed
US-20060140893-A1 Assay of hair proteins L'OREAL (FR) 2006-06-29 US claimed
US-5843420-A Method for extracting malodorous compounds present in a formulation containing at least one compound carrying a thiol group and deodorized compositions thus obtained L'OREAL (FR) 1998-12-01 US claimed
EP-0638550-B1 Method for extracting malodorous compounds present in a formulation containing at least one compound with a thiol group and deodorised compositions thus obtained OREAL (FR) 1998-01-07 EP claimed
EP-0622109-B1 Process for deodorizing a formulation comprising at least one compound bearing a thiol group OREAL (FR) 1997-07-30 EP claimed
US-5531987-A Method for extracting malodorous compounds present in a formulation containing at least one compound carrying a thiol group and deodorized compositions thus obtained L'OREAL (FR) 1996-07-02 US claimed
EP-2677996-B1 COMPOSITION FOR DYEING KERATINOUS FIBRES COMPRISING A DIRECT DYE HAVING A DISULPHIDE/THIOL FUNCTIONAL GROUP, A THICKENING POLYMER, AN ETHOXYLATED FATTY ALCOHOL AND/OR A NONIONIC SURFACTANT, AN ALKALINE AGENT AND A REDUCING AGENT L'ORÉAL (FR) 2017-11-29 EP disclosed
US-9775419-B2 Hair treatment method L'OREAL (FR) 2017-10-03 US disclosed
EP-3220886-A1 COMPOSITION COMPRISING AN ORTHO-DIPHENOL DERIVATIVE, AN ALKALI METAL (BI)CARBONATE, A WATER-SOLUBLE ORGANIC SOLVENT AND A REDUCING AGENT L'Oréal (FR) 2017-09-27 EP disclosed
US-9522106-B2 Composition for dyeing keratinous fibres comprising a direct dye having a disulphide/thiol functional group, a thickening polymer, an ethoxylated fatty alcohol and/or a nonionic surfactant, an alkaline agent and a reducing agent L'OREAL (FR) 2016-12-20 US disclosed
US-5655552-A APPLYING ACIDIC COMPOSITION TO KERATINOUS MATERIAL HELD UNDER TENSION, RINSING, APPLYING THIOL REDUCING AGENT, RINSING, APPLYING OXIDIZING AGENT, RINSING, RELEASING TENSION L'OREAL (FR) 1997-08-12 US disclosed
US-5570708-A Process for the permanent reshaping of keratinous material L'OREAL (FR) 1996-11-05 US disclosed
US-5531987-A Method for extracting malodorous compounds present in a formulation containing at least one compound carrying a thiol group and deodorized compositions thus obtained L'OREAL (FR) 1996-07-02 US disclosed
US-5458848-A Deodorizing L'OREAL (FR) 1995-10-17 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-20100209375-A1 PROCESS FOR TREATING KERATIN FIBERS WITH AT LEAST ONE HETEROCYCLIC DISULFIDE ENTITY IN THE PRESENCE OF AT LEAST ONE REDUCING AGENT, OPTIONALLY HEAT, AND OPTIONALLY AT ALKALINE PH. KRT18, CRYAA, CUTA OR51E2 3424/4885TP53 1420/4885TDP1 2764/4885
US-20140075687-A1 COMPOSITION FOR DYEING KERATINOUS FIBRES COMPRISING A DIRECT DYE HAVING A DISULPHIDE/THIOL FUNCTIONAL GROUP, A THICKENING POLYMER, AN ETHOXYLATED FATTY ALCOHOL AND/OR A NONIONIC SURFACTANT, AN ALKALINE AGENT AND A REDUCING AGENT KRT18, ESD, ADH5 OR51E2 1175/4885TP53 3259/4885TDP1 2807/4885

“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.