SCHEMBL6232744

SCHEMBL6232744

O=C(O)CC(SC(SC(CC(=O)O)C(=O)O)c1ccc2c(c1)OCO2)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.53
MAPK9 P45984 1/20 0.52
CYP1A2 P05177 3/20 0.49
CYP2C19 P33261 3/20 0.49
CYP2C9 P11712 2/20 0.49
MAPK1 P28482 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 1/20 0.49
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
ITGB3 P05106 6/20 0.43
ITGA2B P08514 6/20 0.43
MME P08473 1/20 0.43
ALDH1A1 P00352 3/20 0.42
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL10965629 0.79 KMT2A (0.48) KMT2AMAPK9CYP1A2CYP2C19CYP2C9
SCHEMBL5858099 0.78 KMT2A (0.62) KMT2AMAPK9CYP1A2CYP2C19CYP2C9
SCHEMBL6231503 0.77 MAPK1 (0.54) KMT2AMAPK9CYP1A2CYP2C19CYP2C9
Hydrochloric Acid SCHEMBL6755379 0.77 KMT2A (0.58) KMT2AMAPK9CYP1A2CYP2C19CYP2C9
Hydrochloric Acid SCHEMBL5148928 0.77 KMT2A (0.58) KMT2AMAPK9CYP1A2CYP2C19CYP2C9
Hydrochloric Acid SCHEMBL7976302 0.77 KMT2A (0.58) KMT2AMAPK9CYP1A2CYP2C19CYP2C9
SCHEMBL5150990 0.76 KMT2A (0.59) KMT2AMAPK9CYP1A2CYP2C19CYP2C9
SCHEMBL3728878 0.76 KMT2A (0.59) KMT2AMAPK9CYP1A2CYP2C19CYP2C9
SCHEMBL4673967 0.76 KMT2A (0.59) KMT2AMAPK9CYP1A2CYP2C19CYP2C9
SCHEMBL11301299 0.76 KMT2A (0.59) KMT2AMAPK9CYP1A2CYP2C19CYP2C9

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 KMT2A 3028/4885MAPK9 3834/4885CYP1A2 1496/4885

“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.