SCHEMBL1052286

SCHEMBL1052286

COc1cccc(-c2nc(CI)c(C(C)C)o2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.48
NPC1 O15118 5/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
TP53 P04637 3/20 0.48
NFKB1 P19838 2/20 0.48
NFKB2 Q00653 2/20 0.48
RELA Q04206 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.47
HSD17B10 Q99714 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
GLA P06280 1/20 0.47
NOTUM Q6P988 2/20 0.47
KMT2A Q03164 2/20 0.46
F2 P00734 1/20 0.46
MAPT P10636 3/20 0.46
IKBKB O14920 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL3730506 0.87 RAB9A (0.48) RAB9ANPC1SMN1; SMN2TP53NFKB1
SCHEMBL1047010 0.83 ALDH1A1 (0.61) RAB9ANPC1SMN1; SMN2TP53NFKB1
SCHEMBL1047698 0.82 ALDH1A1 (0.54) RAB9ANPC1SMN1; SMN2TP53NFKB1
SCHEMBL3317191 0.81 ALDH1A1 (0.46) RAB9ANPC1SMN1; SMN2TP53KDM4E
SCHEMBL1050214 0.81 KDM4E (0.48) RAB9ANPC1SMN1; SMN2TP53NFKB1
SCHEMBL3293957 0.79 ALDH1A1 (0.49) RAB9ANPC1SMN1; SMN2TDP1KDM4E
SCHEMBL1047011 0.79 RAB9A (0.52) RAB9ANPC1SMN1; SMN2TP53NFKB1
SCHEMBL3290943 0.76 NOTUM (0.42) RAB9ANPC1SMN1; SMN2TP53KDM4E
SCHEMBL18003681 0.76 S1PR1 (0.46) RAB9ANPC1SMN1; SMN2TDP1KDM4E
SCHEMBL1049914 0.75 ALDH1A1 (0.47) RAB9ANPC1SMN1; SMN2TP53NFKB1

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 42 patents — showing the first 20. 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
US-7872034-B2 Arylcycloalkyl-substituted alkanoic acid derivatives, processes for their preparation and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-01-18 US disclosed
US-7872034-B2 Arylcycloalkyl-substituted alkanoic acid derivatives, processes for their preparation and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-01-18 US disclosed
EP-1789402-B1 2-{-3-2-(PHENYL)-OXAZOL-4-YLMETHOXYMETHYL!-CYCLOHEXYLMETHOXY };-PROPIONIC ACID DERIVATIVES USED AS PPAR LIGANDES (PEROXISOME PROLIFERATOR-ACTIVATED RECEPTORS) FOR THE TREATMENT OF HYPERLIPIDAEMIE AND DIABETES SANOFI AVENTIS DEUTSCHLAND (DE) 2009-11-18 EP 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-1599455-B1 4-(3- (2-PHENYL-OXAZOL-4-YLMETHOXY)-CYCLOHEXYLOXY)-BUTANE ACID DERIVATIVES AND RELATED COMPOUNDS AS PPAR MODULATORS FOR TREATING DIABETES OF TYPE 2 AND ATHEROSCLEROSIS SANOFI AVENTIS DEUTSCHLAND (DE) 2009-07-01 EP disclosed
US-7538131-B2 2-{-3-′2-(phenyl)-oxazol-4-ylmethoxymethyl-cyclohexylmethoxy}-propionic acid derivatives useful as peroxisome proliferator-activated receptor (PPAR) ligands for the treatment of hyperlipidemia and diabetes SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-05-26 US disclosed
US-7538131-B2 2-{-3-′2-(phenyl)-oxazol-4-ylmethoxymethyl-cyclohexylmethoxy}-propionic acid derivatives useful as peroxisome proliferator-activated receptor (PPAR) ligands for the treatment of hyperlipidemia and diabetes SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-05-26 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-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-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-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-20050215596-A1 Cycloalkyl-substituted amino acid derivatives, processes for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-09-29 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
US-20040209920-A1 Arylcycloalkyl-substituted alkanoic acid derivatives, processes for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-10-21 US 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 (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-20050215596-A1 Cycloalkyl-substituted amino acid derivatives, processes for their preparation and their use as pharmaceuticals DNPEP, DDC, AADAT RAB9A 767/4885NPC1 657/4885SMN1; SMN2 3984/4885
US-20040209920-A1 Arylcycloalkyl-substituted alkanoic acid derivatives, processes for their preparation and their use as pharmaceuticals GPR119, FFAR1, FFAR2 RAB9A 3221/4885NPC1 377/4885SMN1; SMN2 2706/4885
US-20050101637-A1 Cycloalkylmethoxy-substituted acetic acid derivatives, processes for their preparation and their use as pharmaceuticals GPR119, PC, CPT1A RAB9A 2727/4885NPC1 673/4885SMN1; SMN2 1912/4885
US-20040198786-A1 Cycloalkyl derivatives having bioisosteric carboxylic acid groups, processes for their preparation and their use as pharmaceuticals GPR119, CPT1A, PC RAB9A 3159/4885NPC1 695/4885SMN1; SMN2 3056/4885

“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.