SCHEMBL6231503

SCHEMBL6231503

O=C(O)CSC(SCC(=O)O)c1ccc2c(c1)OCO2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.54
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
KMT2A Q03164 3/20 0.51
MAPK9 P45984 1/20 0.50
ALDH1A1 P00352 4/20 0.46
POLB P06746 1/20 0.46
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
LMNA P02545 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MME P08473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
EDNRA P25101 2/20 0.42

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
SCHEMBL9151226 0.86 KMT2A (0.50) MAPK1CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL9147815 0.81 KMT2A (0.48) KMT2AMAPK9ALDH1A1POLBPTGS1
SCHEMBL7606367 0.79 ALDH1A1 (0.57) MAPK1CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL9146883 0.79 TAS1R3 (0.49) KMT2AMAPK9ALDH1A1LMNANPC1
SCHEMBL6232744 0.77 KMT2A (0.53) MAPK1CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL9145475 0.77 KMT2A (0.50) MAPK1CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL5858099 0.76 KMT2A (0.62) MAPK1CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL6367100 0.75 MAPK9 (0.68) MAPK1CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL6367096 0.75 MAPK9 (0.68) MAPK1CYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL3728878 0.74 KMT2A (0.59) MAPK1CYP1A2CYP3A4CYP2C19CYP2D6

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 32 patents — showing the first 20. 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-20090306134-A1 Muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC 2009-12-10 US disclosed
US-20090306134-A1 Muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC 2009-12-10 US disclosed
US-20090111737-A1 Novel antibacterial agents THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2009-04-30 US disclosed
US-20090111737-A1 Novel antibacterial agents THERAVANCE BIOPHARMA ANTIBIOTICS IP, LLC 2009-04-30 US disclosed
US-7456203-B2 Muscarinic receptor antagonists THERAVANCE, INC. (US) 2008-11-25 US disclosed
US-7456203-B2 Muscarinic receptor antagonists THERAVANCE, INC. (US) 2008-11-25 US disclosed
US-20080269344-A1 Beta2-Adrenergic Receptor Agonists THERAVANCE BIOPHARMA R&D IP, LLC 2008-10-30 US disclosed
US-20080269344-A1 Beta2-Adrenergic Receptor Agonists THERAVANCE BIOPHARMA R&D IP, LLC 2008-10-30 US disclosed
US-7211695-B2 β2-adrenergic receptor agonists THERAVANCE, INC. (US) 2007-05-01 US disclosed
US-7211695-B2 β2-adrenergic receptor agonists THERAVANCE, INC. (US) 2007-05-01 US disclosed
US-7179794-B2 Multivalent macrolide antibiotics THERAVANCE, INC. (US) 2007-02-20 US disclosed
US-7179794-B2 Multivalent macrolide antibiotics THERAVANCE, INC. (US) 2007-02-20 US disclosed
US-7173039-B2 Protein kinase inhibitors THERAVANCE, INC. (US) 2007-02-06 US disclosed
US-7173039-B2 Protein kinase inhibitors THERAVANCE, INC. (US) 2007-02-06 US disclosed
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 (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-20040037856-A1 Use of compounds containing a thio-ether, sulphoxide or sulphone function as cosmetic anti-pollution agent TST, STS, MPST MAPK1 3914/4885CYP1A2 1496/4885CYP3A4 1501/4885
US-20090306134-A1 Muscarinic receptor antagonists CHRM3, CHRM5, CHRM2 MAPK1 3288/4885CYP1A2 2058/4885CYP3A4 2099/4885
US-20080269344-A1 Beta2-Adrenergic Receptor Agonists ADRB2, ADRB1, ADRA2B MAPK1 3338/4885CYP1A2 601/4885CYP3A4 1760/4885
US-20090111737-A1 Novel antibacterial agents ENGASE, PGLS, PEPD MAPK1 4374/4885CYP1A2 2966/4885CYP3A4 2166/4885

“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.