SCHEMBL3724754

SCHEMBL3724754

CC(S)C(=O)[O-].CC(S)C(=O)[O-].[Sr+2]

nearest known ligand 0.53

Known targets — ChEMBL curated mechanism

ATP4AATP4B

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.38
CA2 P00918 1/20 0.36
CYP3A4 P08684 2/20 0.35
TSHR P16473 2/20 0.35
NFKB1 P19838 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
LMNA P02545 1/20 0.35
PTGS2 P35354 1/20 0.35
RNPEP Q9H4A4 1/20 0.33
CA4 P22748 1/20 0.33
ABCB11 O95342 1/20 0.32
F2 P00734 1/20 0.32
TP53 P04637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL30839395 0.93 CA1 (0.44) CA1CA2CYP3A4TSHRNFKB1
SCHEMBL10944655 0.93 CA1 (0.38) CA1CA2CYP3A4TSHRNFKB1
Potassium Ion SCHEMBL3725237 0.93
SCHEMBL10581260 0.93 CA1 (0.38) CA1CA2CYP3A4TSHRNFKB1
SCHEMBL11581014 0.93 CA1 (0.38) CA1CA2CYP3A4TSHRNFKB1
Lithium Ion SCHEMBL30688092 0.93
Zinc Ion SCHEMBL6051666 0.93 CA1 (0.38) CA1CA2CYP3A4TSHRNFKB1
SCHEMBL3731417 0.93
SCHEMBL30482889 0.93 CA1 (0.38) CA1CA2CYP3A4TSHRNFKB1
SCHEMBL7205523 0.93 CA1 (0.38) CA1CA2CYP3A4TSHRNFKB1

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
US-11166895-B2 Hair care compositions comprising thiolactic acid-based ionic liquids or thiolactic acid-based ionic mixtures L'OREAL (FR) 2021-11-09 US claimed
US-20190216705-A1 HAIR CARE COMPOSITIONS COMPRISING THIOLACTIC ACID-BASED IONIC LIQUIDS OR THIOLACTIC ACID-BASED IONIC MIXTURES L'OREAL (FR) 2019-07-18 US claimed
WO-2018065827-A1 HAIR CARE COMPOSITIONS COMPRISING THIOLACTIC ACID-BASED IONIC LIQUIDS OR THIOLACTIC ACID-BASED IONIC MIXTURES L'OREAL (FR) 2018-04-12 WO claimed
US-11439575-B2 Hair cosmetic compositions containing thiol-based compounds and methods for cleansing and treating hair L'OREAL (FR) 2022-09-13 US disclosed
EP-3525753-B1 HAIR COSMETIC COMPOSITIONS CONTAINING THIOL-BASED COMPOUNDS AND METHODS FOR CLEANSING AND TREATING HAIR OREAL (FR) 2022-04-13 EP disclosed
US-11166895-B2 Hair care compositions comprising thiolactic acid-based ionic liquids or thiolactic acid-based ionic mixtures L'OREAL (FR) 2021-11-09 US disclosed
EP-3525753-A1 HAIR COSMETIC COMPOSITIONS CONTAINING THIOL-BASED COMPOUNDS AND METHODS FOR CLEANSING AND TREATING HAIR L'Oréal (FR) 2019-08-21 EP disclosed
US-20190231665-A1 HAIR COSMETIC COMPOSITIONS CONTAINING THIOL-BASED COMPOUNDS AND METHODS FOR CLEANSING AND TREATING HAIR L'OREAL (FR) 2019-08-01 US disclosed
US-20190216705-A1 HAIR CARE COMPOSITIONS COMPRISING THIOLACTIC ACID-BASED IONIC LIQUIDS OR THIOLACTIC ACID-BASED IONIC MIXTURES L'OREAL (FR) 2019-07-18 US disclosed
WO-2018065827-A1 HAIR CARE COMPOSITIONS COMPRISING THIOLACTIC ACID-BASED IONIC LIQUIDS OR THIOLACTIC ACID-BASED IONIC MIXTURES L'OREAL (FR) 2018-04-12 WO disclosed
WO-2018058208-A1 HAIR COSMETIC COMPOSITIONS CONTAINING THIOL-BASED COMPOUNDS AND METHODS FOR CLEANSING AND TREATING HAIR L'OREAL (FR) 2018-04-05 WO disclosed
EP-1975613-B1 Kits and methods for evaluating hair damage OREAL (FR) 2012-07-18 EP disclosed
US-7749763-B2 Kits and methods for evaluating hair L'OREAL S.A. (FR) 2010-07-06 US disclosed
US-20080241854-A1 KITS AND METHODS FOR EVALUATING HAIR L'OREAL S.A. (FR) 2008-10-02 US disclosed
EP-1975613-A1 Kits and methods for evaluating hair L'OREAL (FR) 2008-10-01 EP disclosed
US-20080085249-A1 Artificial hair color removal compositions and methods L'OREAL (FR) 2008-04-10 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 (4 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-20190231665-A1 HAIR COSMETIC COMPOSITIONS CONTAINING THIOL-BASED COMPOUNDS AND METHODS FOR CLEANSING AND TREATING HAIR TST, DSG1, FSCN1 CA1 283/4885CA2 476/4885CYP3A4 4269/4885
US-11166895-B2 Hair care compositions comprising thiolactic acid-based ionic liquids or thiolactic acid-based ionic mixtures AADAT, NACA, SLC6A19 CA1 450/4885CA2 362/4885CYP3A4 4684/4885
US-20190216705-A1 HAIR CARE COMPOSITIONS COMPRISING THIOLACTIC ACID-BASED IONIC LIQUIDS OR THIOLACTIC ACID-BASED IONIC MIXTURES AADAT, NACA, SLC6A19 CA1 450/4885CA2 362/4885CYP3A4 4684/4885
US-11439575-B2 Hair cosmetic compositions containing thiol-based compounds and methods for cleansing and treating hair TST, DSG1, FSCN1 CA1 283/4885CA2 476/4885CYP3A4 4269/4885

“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.