SCHEMBL6701349

SCHEMBL6701349

COc1ccc2nc(C(C)Oc3ccc(CC(S)C(=O)O)cc3)[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.46
CYP2D6 P10635 7/20 0.45
CYP2C9 P11712 7/20 0.45
CYP2C19 P33261 7/20 0.45
CYP1A2 P05177 6/20 0.45
CYP2E1 P05181 6/20 0.45
CYP2C8 P10632 6/20 0.45
CYP2B6 P20813 6/20 0.45
CYP3A4 P08684 5/20 0.45
GRIN1 Q05586 1/20 0.44
GRIN2B Q13224 1/20 0.44
MMP1 P03956 1/20 0.44
MMP3 P08254 1/20 0.44
MMP7 P09237 1/20 0.44
BRS3 P32247 1/20 0.43
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 3/20 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 SCHEMBL6715713 0.99 EGLN1 (0.45) EGLN1CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL6701744 0.91 MMP1 (0.45) EGLN1CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL6700738 0.90 GRIN1 (0.44) GRIN1GRIN2BMEN1HTTKMT2A
SCHEMBL6699638 0.89 MEN1 (0.45) EGLN1CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL6704260 0.87 PTPRC (0.39) CYP2D6CYP2C9CYP2C19CYP1A2CYP2E1
Hydrochloric Acid SCHEMBL6723945 0.87 TPH1 (0.47) EGLN1CYP2D6CYP2C9CYP2C19CYP1A2
Hydrochloric Acid SCHEMBL6723932 0.87 TPH1 (0.47) EGLN1CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL6703939 0.86 CYP2E1 (0.46) EGLN1CYP2D6CYP2C9CYP2C19CYP1A2
Hydrochloric Acid SCHEMBL6697817 0.85 CYP2E1 (0.46) EGLN1CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL6700259 0.85 PPARA (0.47) EGLN1CYP2D6CYP2C9CYP2C19CYP1A2

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 7 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 claimed
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2003-04-10 US claimed
EP-1167357-A1 ALPHA-SUBSTITUTED CARBOXYLIC ACID DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP claimed
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 EGLN1 212/4885CYP2D6 601/4885CYP2C9 690/4885
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 EGLN1 212/4885CYP2D6 601/4885CYP2C9 690/4885

“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.