SCHEMBL6232946

SCHEMBL6232946

O=C(O)CSC(SCC(=O)O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALKBH5 Q6P6C2 1/20 0.53
PDPK1 O15530 1/20 0.49
FFAR1 O14842 1/20 0.48
ALDH1A1 P00352 3/20 0.47
CYSLTR2 Q9NS75 2/20 0.47
CYSLTR1 Q9Y271 2/20 0.47
SLC6A3 Q01959 1/20 0.46
CDC25B P30305 1/20 0.46
CYP2D6 P10635 1/20 0.43
SRC P12931 1/20 0.43
GABBR2 O75899 1/20 0.42
GABBR1 Q9UBS5 1/20 0.42
PAM P19021 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL2577670 0.83 SLC6A3 (0.65) ALKBH5PDPK1FFAR1ALDH1A1SLC6A3
SCHEMBL29369594 0.83 CYSLTR2 (0.59) ALKBH5PDPK1FFAR1ALDH1A1CYSLTR2
Hydrochloric Acid SCHEMBL2577794 0.81 SLC6A3 (0.62) ALKBH5PDPK1FFAR1ALDH1A1SLC6A3
SCHEMBL29664591 0.79 KMT2A (0.53) ALKBH5PDPK1FFAR1ALDH1A1CYSLTR2
SCHEMBL23215107 0.79 KMT2A (0.53) ALKBH5PDPK1FFAR1ALDH1A1CYSLTR2
SCHEMBL7525590 0.79 SLC6A3 (0.51) SLC6A3CYP2D6CYP2C19LMNA
SCHEMBL6232709 0.77 FFAR1 (0.47) FFAR1
SCHEMBL29451204 0.77 SLC6A3 (0.42) ALDH1A1SLC6A3LMNA
SCHEMBL6691161 0.75 SLC6A3 (0.56) ALKBH5PDPK1ALDH1A1SLC6A3CYP2D6
SCHEMBL20544211 0.74 PDPK1 (0.60) ALKBH5PDPK1FFAR1ALDH1A1CYSLTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1282397-B1 USE OF COMPOUNDS CONTAINING A THIO-ETHER, SULPHOXIDE OR SULPHONE FUNCTION AS COSMETIC ANTI-POLLUTION AGENT OREAL (FR) 2005-05-04 EP claimed
US-20040037856-A1 Use of compounds containing a thio-ether, sulphoxide or sulphone function as cosmetic anti-pollution agent L'OREAL (FR) 2004-02-26 US claimed
EP-0858319-B1 USE OF CARBOXYLIC ACIDS HAVING A SULPHUR FUNCTION FOR PROMOTING SKIN EXFOLIATION OR STIMULATING EPIDERMAL REGENERATION OREAL (FR) 2003-07-23 EP claimed
US-6153649-A Use of carboxylic acids having a sulphur function for promoting skin exfoliation or stimulating epidermal regeneration L'OREAL (FR) 2000-11-28 US claimed
US-20040037856-A1 Use of compounds containing a thio-ether, sulphoxide or sulphone function as cosmetic anti-pollution agent L'OREAL (FR) 2004-02-26 US disclosed
EP-0713105-B1 Composition for optical materials and use thereof MITSUI CHEMICALS INC (JP) 2002-03-13 EP disclosed
US-6153649-A Use of carboxylic acids having a sulphur function for promoting skin exfoliation or stimulating epidermal regeneration L'OREAL (FR) 2000-11-28 US disclosed
US-5756766-A Composition for optical materials and use thereof MITSUI TOATSU CHEMICALS, INC. (JP) 1998-05-26 US disclosed
US-5652321-A Composition for optical materials and use thereof MITSUI TOATSU CHEMICALS, INC. (JP) 1997-07-29 US disclosed
EP-0713105-A2 Composition for optical materials and use thereof MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1996-05-22 EP 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-20040037856-A1 Use of compounds containing a thio-ether, sulphoxide or sulphone function as cosmetic anti-pollution agent TST, STS, MPST ALKBH5 1831/4885PDPK1 2863/4885FFAR1 2920/4885

“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.