SCHEMBL3971072

SCHEMBL3971072

COc1cccc(-c2nc(CO[C@@H]3CCC[C@H](COC(C)(C)C(=O)O)C3)c(C)o2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 3/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PPARG P37231 4/20 0.45
PPARA Q07869 4/20 0.45
LMNA P02545 2/20 0.45
MAPK1 P28482 3/20 0.44
SLC16A3 O15427 1/20 0.43
SLC16A1 P53985 1/20 0.43
TSHR P16473 2/20 0.43
HRH1 P35367 1/20 0.43
PPARD Q03181 1/20 0.43
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL3974627 1.00 ALDH1A1 (0.47) ALDH1A1KDM4EKMT2ASMN1; SMN2PPARG
SCHEMBL14281456 1.00 ALDH1A1 (0.47) ALDH1A1KDM4EKMT2ASMN1; SMN2PPARG
SCHEMBL6265093 0.96 ALDH1A1 (0.44) ALDH1A1KDM4EKMT2ASMN1; SMN2PPARG
SCHEMBL14281464 0.92 PPARA (0.42) ALDH1A1KMT2ASMN1; SMN2PPARGPPARA
SCHEMBL4925236 0.92 PPARA (0.42) ALDH1A1KMT2ASMN1; SMN2PPARGPPARA
SCHEMBL1928969 0.91 SLC16A3 (0.43) ALDH1A1KDM4EKMT2ASMN1; SMN2PPARG
SCHEMBL1928971 0.91 SLC16A3 (0.43) ALDH1A1KDM4EKMT2ASMN1; SMN2PPARG
SCHEMBL1929476 0.91 SLC16A3 (0.43) ALDH1A1KDM4EKMT2ASMN1; SMN2SLC16A3
SCHEMBL1930245 0.91 SLC16A3 (0.43) ALDH1A1KDM4EKMT2ASMN1; SMN2SLC16A3
SCHEMBL1930244 0.91 SLC16A3 (0.43) ALDH1A1KDM4EKMT2ASMN1; SMN2SLC16A3

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
EP-1778655-B1 2 - { - 3 2 - (PHENYL)-OXAZOL-4-YLMETHOXYL-CYCLOHEXYLMETHOXY}-PROPIONIC ACID DERIVATIVES USED AS PPAR LIGANDS (PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS) FOR THE TREATMENT OF HYPERLIPIDAEMIE AND DIABETES SANOFI AVENTIS DEUTSCHLAND (DE) 2009-05-06 EP claimed
US-20080015238-A1 CYCLOALKYLMETHOXY-SUBSTITUTED ACETIC ACID DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-01-17 US disclosed
US-7259177-B2 Cycloalkylmethoxy-substituted acetic acid derivatives, processes for their preparation and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-21 US disclosed
US-20050101637-A1 Cycloalkylmethoxy-substituted acetic acid derivatives, processes for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-05-12 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 (2 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-20080015238-A1 CYCLOALKYLMETHOXY-SUBSTITUTED ACETIC ACID DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS GPR119, PC, ACADM ALDH1A1 268/4885KDM4E 3835/4885KMT2A 4433/4885
US-20050101637-A1 Cycloalkylmethoxy-substituted acetic acid derivatives, processes for their preparation and their use as pharmaceuticals GPR119, PC, CPT1A ALDH1A1 212/4885KDM4E 4165/4885KMT2A 4494/4885

“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.