SCHEMBL6700637

SCHEMBL6700637

CCOC(=S)C(C)Cc1ccc(OC(C)c2nc3ccc(OC)cc3[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP2E1 P05181 14/20 0.43
CYP2C8 P10632 14/20 0.43
CYP2D6 P10635 14/20 0.43
CYP2C9 P11712 14/20 0.43
CYP2B6 P20813 14/20 0.43
CYP2C19 P33261 14/20 0.43
CYP1A2 P05177 13/20 0.43
CYP3A4 P08684 13/20 0.43
BRS3 P32247 2/20 0.42
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 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
Hydrochloric Acid SCHEMBL6703915 0.89 MEN1 (0.43) MEN1HTTKMT2ACYP2E1CYP2C8
SCHEMBL6703177 0.88 CYP2E1 (0.46) MEN1HTTKMT2ACYP2E1CYP2C8
SCHEMBL6703326 0.88 CYP2E1 (0.46) MEN1HTTKMT2ACYP2E1CYP2C8
Hydrochloric Acid SCHEMBL6697811 0.87 CYP2E1 (0.45) MEN1HTTKMT2ACYP2E1CYP2C8
SCHEMBL6699638 0.83 MEN1 (0.45) MEN1HTTKMT2ACYP2E1CYP2C8
SCHEMBL6701366 0.81 MEN1 (0.44) MEN1HTTKMT2ACYP2E1CYP2C8
SCHEMBL6700259 0.80 PPARA (0.47) MEN1HTTKMT2ACYP2E1CYP2C8
SCHEMBL6700131 0.80 ALDH1A1 (0.38) MEN1HTTKMT2ACYP2E1CYP2C8
SCHEMBL6700178 0.79 MMP1 (0.45) MEN1HTTKMT2ACYP2E1CYP2C8
Hydrochloric Acid SCHEMBL6700536 0.79 ALDH1A1 (0.38) MEN1HTTKMT2ACYP2E1CYP2C8

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 MEN1 3577/4885HTT 4507/4885KMT2A 1979/4885
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 MEN1 3577/4885HTT 4507/4885KMT2A 1979/4885

“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.