SCHEMBL5575508

SCHEMBL5575508

CCOP(=O)(OCC)C(CC)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GAA P10253 4/20 0.36
HMGCR P04035 2/20 0.35
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.32
THRB P10828 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL13269359 0.86 POLB (0.38) CYP3A4CYP2C9CYP2C19GAAHMGCR
SCHEMBL6819825 0.85 GAA (0.36) CYP3A4CYP2C9CYP2C19GAAHMGCR
SCHEMBL4807731 0.85 GAA (0.39) CYP3A4CYP2C9CYP2C19GAAHMGCR
SCHEMBL25801531 0.84 TSHR (0.31) CYP3A4CYP2C9CYP2C19SMN1; SMN2TSHR
SCHEMBL23578550 0.83 GAA (0.35) CYP3A4CYP2C9CYP2C19GAAHMGCR
SCHEMBL25801646 0.83 ALDH1A1 (0.41) CYP3A4CYP2C9CYP2C19GAAHMGCR
SCHEMBL23578540 0.82 CTSS (0.35) CYP3A4CYP2C9CYP2C19GAAHMGCR
SCHEMBL30050578 0.82 GAA (0.38) CYP3A4CYP2C9CYP2C19GAAHMGCR
SCHEMBL23578214 0.81 GAA (0.34) CYP3A4CYP2C9CYP2C19GAAHMGCR
SCHEMBL908329 0.81 CYP3A4 (0.36) CYP3A4CYP2C9CYP2C19GAAHMGCR

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150313889-A1 HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE AJINOMOTO CO., INC. (JP) 2015-11-05 US disclosed
US-20150313889-A1 HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE AJINOMOTO CO., INC. (JP) 2015-11-05 US disclosed
US-9115107-B2 Heteroarylcarboxylic acid ester derivative AJINOMOTO CO., INC. (JP) 2015-08-25 US disclosed
US-9115107-B2 Heteroarylcarboxylic acid ester derivative AJINOMOTO CO., INC. (JP) 2015-08-25 US disclosed
EP-2511271-B1 HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE AJINOMOTO KK (JP) 2015-01-21 EP disclosed
US-20150011511-A1 HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE AJINOMOTO CO., INC. (JP) 2015-01-08 US disclosed
US-20150011511-A1 HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE AJINOMOTO CO., INC. (JP) 2015-01-08 US disclosed
US-8877805-B2 Heteroarylcarboxylic acid ester derivative AJINOMOTO CO., INC. (JP) 2014-11-04 US disclosed
US-8877805-B2 Heteroarylcarboxylic acid ester derivative AJINOMOTO CO., INC. (JP) 2014-11-04 US disclosed
US-20140080790-A1 HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE AJINOMOTO CO., INC. (JP) 2014-03-20 US disclosed
EP-2511271-A1 HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE AJINOMOTO CO., INC. (JP) 2012-10-17 EP disclosed
EP-1599443-B1 CYCLOALKYL-SUBSTITUTED ALKANOIC ACID DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT SANOFI AVENTIS DEUTSCHLAND (DE) 2011-12-21 EP disclosed
EP-1599443-B1 CYCLOALKYL-SUBSTITUTED ALKANOIC ACID DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT SANOFI AVENTIS DEUTSCHLAND (DE) 2011-12-21 EP disclosed
WO-2011071048-A1 HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE 味の素株式会社 (JP) 2011-06-16 WO disclosed
US-7173151-B2 Cycloalkyl-substituted alkanoic acid derivatives, processes for their preparation and their use as pharmaceuticals SANOFI-AVENTISDEUTSCHAND GMBH (DE) 2007-02-06 US disclosed
US-7173151-B2 Cycloalkyl-substituted alkanoic acid derivatives, processes for their preparation and their use as pharmaceuticals SANOFI-AVENTISDEUTSCHAND GMBH (DE) 2007-02-06 US disclosed
US-7173151-B2 Cycloalkyl-substituted alkanoic acid derivatives, processes for their preparation and their use as pharmaceuticals SANOFI-AVENTISDEUTSCHAND GMBH (DE) 2007-02-06 US disclosed
EP-1599443-A1 CYCLOALKYL-SUBSTITUTED ALKANOIC ACID DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT Sanofi-Aventis Deutschland GmbH (DE) 2005-11-30 EP disclosed
US-20040220261-A1 Cycloalkyl-substituted alkanoic acid derivatives, processes for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-11-04 US disclosed
WO-2004076401-A1 CYCLOALKYL-SUBSTITUTED ALKANOIC ACID DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-09-10 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 (4 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-20140080790-A1 HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE DPP4, DPP9, DPP7 CYP3A4 141/4885CYP2C9 257/4885CYP2C19 209/4885
US-20150011511-A1 HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE DPP4, DPP9, DPP7 CYP3A4 141/4885CYP2C9 257/4885CYP2C19 209/4885
US-20040220261-A1 Cycloalkyl-substituted alkanoic acid derivatives, processes for their preparation and their use as pharmaceuticals GPR119, FFAR1, FASN CYP3A4 155/4885CYP2C9 90/4885CYP2C19 57/4885
US-20150313889-A1 HETEROARYLCARBOXYLIC ACID ESTER DERIVATIVE DPP4, DPP9, DPP7 CYP3A4 141/4885CYP2C9 257/4885CYP2C19 209/4885

“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.