SCHEMBL13323728

SCHEMBL13323728

O=C(O)c1cc(=O)c(OCC(F)(F)F)co1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
USP2 O75604 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
THRB P10828 1/20 0.38
G6PD P11413 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PTGER4 P35408 1/20 0.37
RXRA P19793 2/20 0.36
HNF4A P41235 1/20 0.36
CYP1A2 P05177 2/20 0.35
NPC1 O15118 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL10328622 0.81 RXRA (0.52) RXRACYP1A2NPC1CYP2C19RECQL
SCHEMBL10328638 0.80 PTGER4 (0.38) MEN1KMT2AL3MBTL1PTGER4CYP1A2
SCHEMBL10328642 0.79 PTGER4 (0.37) MEN1KMT2AL3MBTL1KDM4EUSP2
SCHEMBL10328645 0.77 LMNA (0.43) ALDH1A1L3MBTL1MAPTPTGER4RXRA
SCHEMBL13323405 0.76 MRGPRX4 (0.48) MEN1KMT2APTGER4RXRACYP1A2
SCHEMBL1037140 0.76 PTGER4 (0.52) ALDH1A1MEN1KMT2AL3MBTL1KDM4E
SCHEMBL10328599 0.76 GAA (0.44) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL6900481 0.76 MEN1 (0.42) MEN1KMT2ATHRBPTGER4GPR35
SCHEMBL10328594 0.75 MEN1 (0.50) MEN1KMT2AL3MBTL1MAPTPTGER4
SCHEMBL10328605 0.75 MEN1 (0.48) ALDH1A1MEN1KMT2ATHRBS1PR3

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-8748483-B2 Use of substituted pyranone acid derivatives for the treatment of metabolic syndrome SANOFI (FR) 2014-06-10 US disclosed
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
WO-2008086949-A1 USE OF SUBSTITUTED PYRANONE ACID DERIVATIVES FOR THE TREATMENT OF METABOLIC SYNDROME SANOFI-AVENTIS (FR) 2008-07-24 WO 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 ALDH1A1 951/4885MEN1 1407/4885KMT2A 3575/4885

“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.