SCHEMBL6700569

SCHEMBL6700569

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 6/20 0.43
CYP2C8 P10632 6/20 0.43
CYP2D6 P10635 6/20 0.43
CYP2C9 P11712 6/20 0.43
CYP2B6 P20813 6/20 0.43
CYP2C19 P33261 6/20 0.43
CYP1A2 P05177 5/20 0.43
CYP3A4 P08684 4/20 0.43
MMP1 P03956 1/20 0.42
MMP3 P08254 1/20 0.42
MMP7 P09237 1/20 0.42
EGLN1 Q9GZT9 1/20 0.41
BRS3 P32247 1/20 0.41
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
PTPN1 P18031 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL6701596 0.91 MMP1 (0.41) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
Hydrochloric Acid SCHEMBL7077317 0.85 PTPN1 (0.44) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
Hydrochloric Acid SCHEMBL6701224 0.85 PTPN1 (0.44) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL6701349 0.85 EGLN1 (0.46) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
Hydrochloric Acid SCHEMBL6723945 0.84 TPH1 (0.47) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
Hydrochloric Acid SCHEMBL6723932 0.84 TPH1 (0.47) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
Hydrochloric Acid SCHEMBL6715713 0.84 EGLN1 (0.45) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL6703939 0.83 CYP2E1 (0.46) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
SCHEMBL6700259 0.83 PPARA (0.47) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6
Hydrochloric Acid SCHEMBL6697817 0.83 CYP2E1 (0.46) CYP2E1CYP2C8CYP2D6CYP2C9CYP2B6

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 CYP2E1 74/4885CYP2C8 334/4885CYP2D6 601/4885
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 CYP2E1 74/4885CYP2C8 334/4885CYP2D6 601/4885

“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.