SCHEMBL6230617

SCHEMBL6230617

COc1ccc(C(SC(CC(=O)O)C(=O)O)SC(CC(=O)O)C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.49
KMT2A Q03164 2/20 0.48
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
LDHA P00338 1/20 0.45
CYP2C19 P33261 2/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
CYP2C9 P11712 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
AKR1C3 P42330 3/20 0.41
AKR1C2 P52895 3/20 0.41
AKR1C1 Q04828 1/20 0.41
PTGS1 P23219 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
SCHEMBL6231462 0.81 TNF (0.49) LDHAALDH1A1POLBSMN1; SMN2
SCHEMBL6233530 0.80 ALDH1A1 (0.47) KMT2AL3MBTL1CYP2C19ALDH1A1POLB
SCHEMBL6236231 0.79 GAA (0.61) ALDH1A1
SCHEMBL6484578 0.77 FFAR1 (0.66) FFAR1KMT2AATML3MBTL1LDHA
SCHEMBL10962386 0.76 FFAR1 (0.44) FFAR1KMT2AATML3MBTL1LDHA
SCHEMBL6231164 0.76 POLB (0.51) KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL6235254 0.76 PTGES (0.49) KMT2ACYP2C19ALDH1A1POLBSMN1; SMN2
SCHEMBL6571679 0.76 CYP2C19 (0.74) FFAR1L3MBTL1LDHACYP2C19ALDH1A1
SCHEMBL7891728 0.76 L3MBTL1 (0.68) FFAR1KMT2AATML3MBTL1LDHA
SCHEMBL2226074 0.75 L3MBTL1 (0.68) FFAR1KMT2AATML3MBTL1LDHA

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 FFAR1 2920/4885KMT2A 3028/4885ATM 1250/4885

“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.