SCHEMBL6698992

SCHEMBL6698992

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
ACACB O00763 3/20 0.44
NR4A1 P22736 1/20 0.43
APEX1 P27695 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PPARA Q07869 2/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
ALOX15 P16050 1/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 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
SCHEMBL7131207 0.84 ALDH1A1 (0.53) ALDH1A1TSHRNR4A1APEX1SMN1; SMN2
SCHEMBL6698980 0.84 PTPN1 (0.44) ALDH1A1ACACBADRB2ADRB1ADRB3
SCHEMBL14032811 0.81 ALDH1A1 (0.55) ALDH1A1TSHRNR4A1APEX1SMN1; SMN2
SCHEMBL14032834 0.81 ALDH1A1 (0.55) ALDH1A1TSHRNR4A1APEX1SMN1; SMN2
SCHEMBL6936866 0.81 ACACB (0.41) ACACBPPARA
SCHEMBL24915328 0.80 ALDH1A1 (0.54) ALDH1A1TSHRNR4A1APEX1SMN1; SMN2
SCHEMBL7131204 0.79 ALDH1A1 (0.53) ALDH1A1TSHRNR4A1APEX1SMN1; SMN2
SCHEMBL26172590 0.79 ALDH1A1 (0.53) ALDH1A1TSHRNR4A1APEX1SMN1; SMN2
SCHEMBL12086478 0.78 ALDH1A1 (0.58) ALDH1A1TSHRNR4A1APEX1SMN1; SMN2
SCHEMBL5294166 0.77 PPARA (0.60) PPARA

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 ALDH1A1 28/4885TSHR 1887/4885ACACB 154/4885
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 ALDH1A1 28/4885TSHR 1887/4885ACACB 154/4885

“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.