SCHEMBL6700673

SCHEMBL6700673

CCOC(=S)C(C)Cc1ccc(O)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.47
SLC6A2 P23975 1/20 0.47
ESR1 P03372 9/20 0.46
ESR2 Q92731 9/20 0.46
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
MIF P14174 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36

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
SCHEMBL13715362 0.81 ESR1 (0.50) TAAR1SLC6A2ESR1ESR2CA12
SCHEMBL13715359 0.81 ESR1 (0.50) TAAR1SLC6A2ESR1ESR2CA12
SCHEMBL2434150 0.81 ESR1 (0.50) TAAR1SLC6A2ESR1ESR2CA12
SCHEMBL11541552 0.79 PPARA (0.43) SLC6A2
SCHEMBL6936866 0.79 ACACB (0.41)
SCHEMBL6698992 0.76 ALDH1A1 (0.50) ADRB2ADRB1ADRB3
SCHEMBL11515753 0.74 CA12 (0.50) TAAR1SLC6A2CA12CA1CA2
SCHEMBL8574971 0.72 EPHX2 (0.51) ESR1ADRB3
SCHEMBL5800254 0.71 MMP8 (0.55) TAAR1SLC6A2ESR1ESR2CA12
SCHEMBL5546946 0.71 ESR1 (0.65) TAAR1SLC6A2ESR1ESR2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040002512-A1 Alpha-substituted carboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2004-01-01 US disclosed
US-6596751-B2 An insulin resistance improving agent, hypoglycemic agent, immunoregulatory agent, aldose reductase inhibitor, 5-lipoxygenase inhibitor, peroxidized lipid production suppressor, PPAR. activator, leukotriene antagonist, adipose SANKYO COMPANY LIMITED (JP) 2003-07-22 US disclosed
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2003-04-10 US disclosed
EP-1167357-A1 ALPHA-SUBSTITUTED CARBOXYLIC ACID DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 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 (2 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-20040002512-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 TAAR1 1266/4885SLC6A2 2936/4885ESR1 775/4885
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 TAAR1 1266/4885SLC6A2 2936/4885ESR1 775/4885

“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.