SCHEMBL1928637

SCHEMBL1928637

CCc1oc(-c2ccc(CC(C)C)cc2)nc1CI

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.38
PPARG P37231 5/20 0.35
NOTUM Q6P988 1/20 0.35
KDM4E B2RXH2 2/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PPARA Q07869 4/20 0.34
XDH P47989 1/20 0.34
S1PR4 O95977 3/20 0.34

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
SCHEMBL1045445 0.83 NOTUM (0.43) PPARGNOTUMKDM4ERAB9AMEN1
SCHEMBL4083425 0.82 S1PR1 (0.41) S1PR1PPARGMEN1MAPTKMT2A
SCHEMBL1048319 0.81 PPARG (0.47) PPARGNOTUMKDM4ERAB9AMAPT
SCHEMBL3292160 0.77 IKBKB (0.43) S1PR1PPARGNOTUMKDM4ERAB9A
SCHEMBL3968786 0.76 NOTUM (0.42) PPARGNOTUMKDM4ERAB9ANPC1
Cuminaldehyde SCHEMBL3978618 0.75 TYR (0.45) PPARGNOTUMKDM4ERAB9AMEN1
SCHEMBL3291369 0.74 NOTUM (0.43) S1PR1PPARGNOTUMKDM4ERAB9A
SCHEMBL1929990 0.73 CYP1A2 (0.46) S1PR1PPARGNOTUMKDM4EMEN1
SCHEMBL18095717 0.70 PPARG (0.46) PPARGNOTUMKDM4ERAB9AMEN1
SCHEMBL1049954 0.68 HEXA (0.34) PPARGPPARA

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7956077-B2 2-{-3,′2-(phenyl)-oxazol-4-ylmethoxyl-cyclohexyl methoxy}-propionic acid derivatives used as peroxisome proliferator-activated receptor (PPAR) ligands for the treatment of hyperlipidemia and diabetes SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-06-07 US disclosed
US-7956077-B2 2-{-3,′2-(phenyl)-oxazol-4-ylmethoxyl-cyclohexyl methoxy}-propionic acid derivatives used as peroxisome proliferator-activated receptor (PPAR) ligands for the treatment of hyperlipidemia and diabetes SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-06-07 US disclosed
US-7956077-B2 2-{-3,′2-(phenyl)-oxazol-4-ylmethoxyl-cyclohexyl methoxy}-propionic acid derivatives used as peroxisome proliferator-activated receptor (PPAR) ligands for the treatment of hyperlipidemia and diabetes SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-06-07 US disclosed
EP-1601671-B1 CYCLOALKYL DERIVATIVES COMPRISING BIOISOSTERIC CARBOXYLIC ACID GROUPS, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT SANOFI AVENTIS DEUTSCHLAND (DE) 2009-07-29 EP disclosed
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 disclosed
US-20070197613-A1 2-{-3,'2-(PHENYL)-OXAZOL-4-YLMETHOXYL-CYCLOHEXYL METHOXY}-PROPIONIC ACID DERIVATIVES USED AS PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR (PPAR) LIGANDS FOR THE TREATMENT OF HYPERLIPIDEMIA AND DIABETES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-23 US disclosed
US-20070197613-A1 2-{-3,'2-(PHENYL)-OXAZOL-4-YLMETHOXYL-CYCLOHEXYL METHOXY}-PROPIONIC ACID DERIVATIVES USED AS PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR (PPAR) LIGANDS FOR THE TREATMENT OF HYPERLIPIDEMIA AND DIABETES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-23 US disclosed
US-20070197613-A1 2-{-3,'2-(PHENYL)-OXAZOL-4-YLMETHOXYL-CYCLOHEXYL METHOXY}-PROPIONIC ACID DERIVATIVES USED AS PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR (PPAR) LIGANDS FOR THE TREATMENT OF HYPERLIPIDEMIA AND DIABETES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-23 US disclosed
US-7148246-B2 Cycloalkyl derivatives having bioisosteric carboxylic acid groups, processes for their preparation and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-12-12 US disclosed
EP-1601671-A1 CYCLOALKYL DERIVATIVES COMPRISING BIOISOSTERIC CARBOXYLIC ACID GROUPS, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT Sanofi-Aventis Deutschland GmbH (DE) 2005-12-07 EP disclosed
US-20040198786-A1 Cycloalkyl derivatives having bioisosteric carboxylic acid groups, processes for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-10-07 US disclosed
WO-2004076447-A1 CYCLOALKYL DERIVATIVES COMPRISING BIOISOSTERIC CARBOXYLIC ACID GROUPS, METHOD 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 (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-20070197613-A1 2-{-3,'2-(PHENYL)-OXAZOL-4-YLMETHOXYL-CYCLOHEXYL METHOXY}-PROPIONIC ACID DERIVATIVES USED AS PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR (PPAR) LIGANDS FOR THE TREATMENT OF HYPERLIPIDEMIA AND DIABETES PPARA, PPARG, PPARD S1PR1 770/4885PPARG 2/4885NOTUM 1036/4885
US-20040198786-A1 Cycloalkyl derivatives having bioisosteric carboxylic acid groups, processes for their preparation and their use as pharmaceuticals GPR119, CPT1A, PC S1PR1 940/4885PPARG 155/4885NOTUM 304/4885

“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.