SCHEMBL10328622

SCHEMBL10328622

O=C(O)c1cc(=O)c(OCc2ccc(C(F)(F)F)cc2)co1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.52
RXRB P28702 2/20 0.52
RXRG P48443 2/20 0.52
NPC1 O15118 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
RECQL P46063 1/20 0.47
RAB9A P51151 1/20 0.47
PPARD Q03181 1/20 0.47
PPARA Q07869 1/20 0.47
PTPN1 P18031 4/20 0.46
PTPN2 P17706 2/20 0.46
PTPN6 P29350 2/20 0.46
MRGPRX4 Q96LA9 5/20 0.46
MAOB P27338 4/20 0.46
MAOA P21397 2/20 0.46
KDM5A P29375 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
APLNR P35414 1/20 0.43

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
SCHEMBL10328594 0.85 MEN1 (0.50) NPC1CYP1A2CYP2C19RECQLRAB9A
SCHEMBL13323405 0.85 MRGPRX4 (0.48) RXRARXRBRXRGNPC1CYP1A2
SCHEMBL1037140 0.84 PTGER4 (0.52) NPC1CYP1A2CYP2C19RECQLRAB9A
SCHEMBL10328650 0.83 RAB9A (0.50) RXRARXRBRXRGNPC1CYP1A2
SCHEMBL10328542 0.83 MRGPRX4 (0.50) RXRARXRBNPC1CYP1A2CYP2C19
SCHEMBL3334602 0.83 NPC1 (0.67) RXRARXRBRXRGNPC1CYP1A2
SCHEMBL10328621 0.83 NPC1 (0.53) RXRARXRBRXRGNPC1CYP1A2
SCHEMBL10328539 0.82 PTGER4 (0.49) RXRARXRBNPC1CYP1A2CYP2C19
SCHEMBL13323728 0.81 ALDH1A1 (0.38) RXRANPC1CYP1A2CYP2C19RECQL
SCHEMBL10328616 0.81 RXRA (0.52) RXRARXRBNPC1CYP1A2CYP2C19

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
EP-2120923-B1 USE OF SUBSTITUTED PYRANONE ACID DERIVATIVES FOR THE TREATMENT OF METABOLIC SYNDROME SANOFI SA (FR) 2012-07-18 EP 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 RXRA 701/4885RXRB 681/4885RXRG 765/4885

“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.