SCHEMBL10328547

SCHEMBL10328547

Cc1cc(C)cc(COc2coc(C(=O)O)cc2=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
RECQL P46063 1/20 0.51
RAB9A P51151 1/20 0.51
FFAR4 Q5NUL3 2/20 0.45
FFAR1 O14842 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
MRGPRX4 Q96LA9 3/20 0.41
PTGER4 P35408 1/20 0.41
ALKBH1 Q13686 1/20 0.41
PARP10 Q53GL7 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
PLA2G1B P04054 1/20 0.38
HPGD P15428 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38

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
SCHEMBL3334602 0.87 NPC1 (0.67) NPC1CYP1A2CYP2C19RECQLRAB9A
SCHEMBL1037140 0.82 PTGER4 (0.52) NPC1CYP1A2CYP2C19RECQLRAB9A
SCHEMBL10328650 0.82 RAB9A (0.50) NPC1CYP1A2CYP2C19RECQLRAB9A
SCHEMBL10328621 0.82 NPC1 (0.53) NPC1CYP1A2CYP2C19RECQLRAB9A
SCHEMBL9356623 0.80 RAB9A (0.52) NPC1CYP1A2CYP2C19RECQLRAB9A
SCHEMBL17112794 0.80 NPC1 (0.51) NPC1CYP1A2CYP2C19RECQLRAB9A
SCHEMBL10328616 0.80 RXRA (0.52) NPC1CYP1A2CYP2C19RECQLRAB9A
SCHEMBL10328542 0.79 MRGPRX4 (0.50) NPC1CYP1A2CYP2C19RECQLRAB9A
SCHEMBL10328594 0.79 MEN1 (0.50) NPC1CYP1A2CYP2C19RECQLRAB9A
SCHEMBL10328645 0.78 LMNA (0.43) NPC1CYP1A2CYP2C19RECQLRAB9A

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 6 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
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
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 NPC1 1500/4885CYP1A2 325/4885CYP2C19 393/4885

“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.