SCHEMBL6232129

SCHEMBL6232129

COc1cc(C(SCC(=O)O)SCC(=O)O)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.57
BLM P54132 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
GAA P10253 3/20 0.56
NFKB1 P19838 2/20 0.51
CYP3A4 P08684 1/20 0.51
ALDH1A1 P00352 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
BCHE P06276 2/20 0.49
TYR P14679 2/20 0.49
ACHE P22303 2/20 0.49
PMP22 Q01453 1/20 0.49
HTT P42858 1/20 0.47
PDE4D Q08499 1/20 0.47
SLC22A3 O75751 1/20 0.46
FOLH1 Q04609 1/20 0.45
LMNA P02545 1/20 0.45
SLC22A6 Q4U2R8 1/20 0.45
SLC22A8 Q8TCC7 1/20 0.45
MEN1 O00255 1/20 0.45

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
SCHEMBL6231182 0.88 ACHE (0.50) TSHRBLMNPSR1GAACYP3A4
SCHEMBL1442328 0.81 TSHR (0.57) TSHRBLMNPSR1GAANFKB1
SCHEMBL22808307 0.79 TSHR (0.58) TSHRBLMNPSR1GAANFKB1
SCHEMBL6236231 0.78 GAA (0.61) TSHRBLMNPSR1GAANFKB1
SCHEMBL6232709 0.76 FFAR1 (0.47) NPSR1RAB9AKMT2A
SCHEMBL3182348 0.76 TSHR (0.65) TSHRBLMNPSR1GAANFKB1
SCHEMBL3182357 0.76 TSHR (0.67) TSHRBLMNPSR1GAANFKB1
SCHEMBL5597196 0.75 GAA (0.68) TSHRBLMNPSR1GAANFKB1
SCHEMBL1682681 0.75 GAA (0.77) TSHRBLMNPSR1GAANFKB1
SCHEMBL1595318 0.74 BCHE (0.64) TSHRBLMNPSR1GAANFKB1

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 6 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
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

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 TSHR 872/4885BLM 4102/4885NPSR1 2741/4885

“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.