SCHEMBL3335571

SCHEMBL3335571

CCOC(=O)C=Cc1coc(C(=O)O)cc1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.42
DPP4 P27487 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CYP3A4 P08684 2/20 0.40
PTGS2 P35354 1/20 0.40
ESR1 P03372 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
NPC1 O15118 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
MAOB P27338 1/20 0.39
PPARG P37231 1/20 0.37

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
SCHEMBL3335564 1.00 TTR (0.42) TTRDPP4CA12CA1CA2
SCHEMBL10328620 0.85 ALDH1A1 (0.43) TTRCA12CA1CA2CA7
SCHEMBL4436302 0.82 TTR (0.40) TTRDPP4CA12CA1CA2
SCHEMBL10328624 0.76 PDE5A (0.35) CYP3A4
SCHEMBL8342115 0.69 CA12 (0.53) TTRDPP4CA12CA1CA2
SCHEMBL18260176 0.68 CA12 (0.51) TTRDPP4CA12CA1CA2
SCHEMBL10783189 0.68 CA12 (0.59) TTRDPP4CA12CA1CA2
SCHEMBL28441453 0.68 TTR (0.44) TTRDPP4CA12CA1CA2
SCHEMBL27579756 0.68 ESR1 (0.56) TTRDPP4CA12CA1CA2
SCHEMBL10328544 0.68 GPR52 (0.48)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748483-B2 Use of substituted pyranone acid derivatives for the treatment of metabolic syndrome SANOFI (FR) 2014-06-10 US disclosed
US-20100144862-A1 USE OF SUBSTITUTED PYRANONE ACID DERIVATIVES FOR THE TREATMENT OF METABOLIC SYNDROME SANOFI-AVENTIS (FR) 2010-06-10 US 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 (1 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-20100144862-A1 USE OF SUBSTITUTED PYRANONE ACID DERIVATIVES FOR THE TREATMENT OF METABOLIC SYNDROME PC, PCK1, PDK4 TTR 1821/4885DPP4 380/4885CA12 4757/4885

“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.