SCHEMBL6700738

SCHEMBL6700738

CC(Oc1ccc(CC(S)C(=O)O)cc1)c1nc2ccc(O)cc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.44
GRIN2B Q13224 1/20 0.44
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 1/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
PKM P14618 2/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
GFER P55789 1/20 0.39
S1PR4 O95977 3/20 0.37
S1PR1 P21453 3/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
AAK1 Q2M2I8 2/20 0.36
MLKL Q8NB16 1/20 0.36
S1PR5 Q9H228 2/20 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
SCHEMBL6701349 0.90 EGLN1 (0.46) GRIN1GRIN2BALDH1A1ALOX15MEN1
Hydrochloric Acid SCHEMBL6715713 0.89 EGLN1 (0.45) GRIN1GRIN2BALDH1A1MEN1HTT
SCHEMBL6704260 0.87 PTPRC (0.39) ALDH1A1ALOX15MEN1HTTKMT2A
SCHEMBL6702421 0.86 GRIN1 (0.41) GRIN1GRIN2BALDH1A1ALOX15MEN1
SCHEMBL6702480 0.83 GRIN1 (0.43) GRIN1GRIN2BALDH1A1ALOX15MEN1
Hydrochloric Acid SCHEMBL6702785 0.82 GRIN1 (0.43) GRIN1GRIN2BALDH1A1ALOX15MEN1
SCHEMBL6705087 0.81 ALDH1A1 (0.42) GRIN1GRIN2BALDH1A1ALOX15MEN1
SCHEMBL6701744 0.81 MMP1 (0.45) GRIN1GRIN2BALDH1A1ALOX15MEN1
SCHEMBL6699638 0.79 MEN1 (0.45) GRIN1GRIN2BALDH1A1ALOX15MEN1
SCHEMBL7491862 0.78 LMNA (0.38) ALDH1A1ALOX15MEN1HTTKMT2A

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 GRIN1 778/4885GRIN2B 1686/4885ALDH1A1 28/4885
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 GRIN1 778/4885GRIN2B 1686/4885ALDH1A1 28/4885

“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.