SCHEMBL6701213

SCHEMBL6701213

COc1ccc2nc(COc3ccc(C(C)(O)C(=O)O)cc3)n(C)c2c1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 18/20 0.59
ESRRA P11474 1/20 0.53
TP53 P04637 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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 SCHEMBL6702457 0.99 PPARG (0.58) PPARGESRRATP53SMN1; SMN2
SCHEMBL6700594 0.91 PPARG (0.56) PPARGESRRATP53SMN1; SMN2
SCHEMBL6700177 0.82 PPARG (0.52) PPARGESRRA
SCHEMBL7075306 0.81 PPARG (0.62) PPARGESRRATP53SMN1; SMN2
SCHEMBL6697822 0.80 ESRRA (0.51) PPARGESRRA
SCHEMBL12442800 0.79 NPC1 (0.69) PPARGESRRATP53SMN1; SMN2
SCHEMBL6701218 0.78 PPARG (0.58) PPARGTP53SMN1; SMN2
SCHEMBL6701344 0.77 PPARG (0.57) PPARGTP53SMN1; SMN2
Hydrochloric Acid SCHEMBL6702461 0.77 PPARG (0.57) PPARGTP53SMN1; SMN2
Hydrochloric Acid SCHEMBL6715707 0.76 PPARG (0.56) PPARGTP53SMN1; SMN2

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 5 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-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 PPARG 152/4885ESRRA 379/4885TP53 3629/4885
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 PPARG 152/4885ESRRA 379/4885TP53 3629/4885

“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.