SCHEMBL1045446

SCHEMBL1045446

Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CI

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.64
RAB9A P51151 3/20 0.64
ALDH1A1 P00352 2/20 0.64
HTT P42858 2/20 0.64
LMNA P02545 2/20 0.64
TDP1 Q9NUW8 1/20 0.64
NR1H2 P55055 3/20 0.56
NR1H3 Q13133 3/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
KDM4E B2RXH2 1/20 0.55
NOTUM Q6P988 2/20 0.49
PPARG P37231 4/20 0.48
PPARA Q07869 4/20 0.48
NPC1 O15118 2/20 0.47
TP53 P04637 3/20 0.45
RXFP1 Q9HBX9 1/20 0.44
KDM1A O60341 1/20 0.44
UTRN P46939 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL2081784 0.88 MAPT (0.65) MAPTRAB9AALDH1A1HTTLMNA
SCHEMBL1049615 0.85 RAB9A (0.50) MAPTRAB9AALDH1A1HTTLMNA
SCHEMBL1930103 0.84 MAPT (0.50) MAPTRAB9AALDH1A1HTTLMNA
SCHEMBL3293957 0.83 ALDH1A1 (0.49) MAPTRAB9AALDH1A1HTTLMNA
SCHEMBL1049514 0.83 PPARA (0.48) MAPTRAB9AALDH1A1HTTLMNA
SCHEMBL4830084 0.82 KDM4E (0.50) MAPTRAB9AALDH1A1HTTLMNA
SCHEMBL1045451 0.81 MAPT (0.49) MAPTRAB9AALDH1A1LMNAMEN1
SCHEMBL1051008 0.81 KDM4E (0.46) MAPTRAB9AALDH1A1HTTLMNA
SCHEMBL3973842 0.79 RXFP1 (0.52) MAPTRAB9AALDH1A1HTTLMNA
SCHEMBL4836903 0.79 MAPT (0.55) MAPTHTTLMNANR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-7732471-B2 6-oxazol-4-ylmetholmethoxy-alko-alkoxymethyl substituted benzoic acid derivatives forming peroxisome proliferator—activated receptor (PPAR) ligands, process for their preparation and methods of use thereof SANOFI-AVENTIS (FR) 2010-06-08 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-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
EP-1599453-B1 3-METHYL-2- (3- (2-PHENYL-OXAZOL-4-YLMETHOXY)-CYCLOHEXANECARBONYL-AMINO BUTYRIC ACID DERIVATIVES AND RELATED COMPOUNDS AS PPAR MODULATORS FOR THE TREATMENT OF TYPE 2 DIABETES AND ATHEROSCLEROSIS SANOFI AVENTIS DEUTSCHLAND (DE) 2009-05-06 EP disclosed
EP-1599453-B1 3-METHYL-2- (3- (2-PHENYL-OXAZOL-4-YLMETHOXY)-CYCLOHEXANECARBONYL-AMINO BUTYRIC ACID DERIVATIVES AND RELATED COMPOUNDS AS PPAR MODULATORS FOR THE TREATMENT OF TYPE 2 DIABETES AND ATHEROSCLEROSIS SANOFI AVENTIS DEUTSCHLAND (DE) 2009-05-06 EP disclosed
CN-100439347-C 4- (3- (2-phenyloxazol-4-ylmethoxy) -cyclohexyloxy) -butyric acid derivatives and related compounds as PPAR modulators for the treatment of type 2 diabetes and atherosclerosis SANNOFFE AVENTIS PHARMA GMBH (DE) 2008-12-03 CN disclosed
US-20080171776-A1 6-OXAZOL-4-YLMETHOLMETHOXY-ALKO-ALKOXYMETHYL SUBSTITUTED BENZOIC ACID DERIVATIVES FORMING PEROXISOME PROLIFERATOR - ACTIVATED RECEPTOR (PPAR) LIGANDS, PROCESS FOR THEIR PREPARATION AND METHODS OF USE THEREOF SANOFI-AVENTIS (FR) 2008-07-17 US disclosed
US-6884812-B2 Diarylcycloalkyl derivatives, processes for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-04-26 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-2004076428-A1 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 AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-09-10 WO disclosed
WO-2004076426-A1 3-METHYL-2- (3- (2-PHENYL-OXAZOL-4-YLMETHOXY)-CYCLOHEXANECARBONYL-AMINO BUTYRIC ACID DERIVATIVES AND RELATED COMPOUNDS AS PPAR MODULATORS FOR THE TREATMENT OF TYPE 2 DIABETES AND ATHEROSCLEROSIS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-09-10 WO disclosed
US-20040122069-A1 Diarylcycloalkyl derivatives, processes for their preparation and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-06-24 US disclosed
EP-1425014-A1 DIARYL CYCLOALKYL DERIVATIVES, METHOD FOR PRODUCING THE SAME AND THE USE THEREOF AS PPAR ACTIVATORS Aventis Pharma Deutschland GmbH (DE) 2004-06-09 EP disclosed
US-6624185-B2 Drugs at least one lipid- or triglyceride-lowering active compound; and carriers for lipid metabolism AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-09-23 US disclosed
US-20030144332-A1 Diarylcycloalkyl derivatives, processes for their preparation and their use s pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-07-31 US disclosed
WO-2003020269-A1 DIARYL CYCLOALKYL DERIVATIVES, METHOD FOR PRODUCING THE SAME AND THE USE THEREOF AS PPAR ACTIVATORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-03-13 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 (5 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-20030144332-A1 Diarylcycloalkyl derivatives, processes for their preparation and their use s pharmaceuticals PNLIP, LIPC, APOB MAPT 4603/4885RAB9A 2274/4885ALDH1A1 1786/4885
US-20040209920-A1 Arylcycloalkyl-substituted alkanoic acid derivatives, processes for their preparation and their use as pharmaceuticals GPR119, FFAR1, FFAR2 MAPT 4342/4885RAB9A 3221/4885ALDH1A1 156/4885
US-20040122069-A1 Diarylcycloalkyl derivatives, processes for their preparation and their use as pharmaceuticals PNLIP, LIPC, APOB MAPT 4596/4885RAB9A 2390/4885ALDH1A1 1667/4885
US-20080171776-A1 6-OXAZOL-4-YLMETHOLMETHOXY-ALKO-ALKOXYMETHYL SUBSTITUTED BENZOIC ACID DERIVATIVES FORMING PEROXISOME PROLIFERATOR - ACTIVATED RECEPTOR (PPAR) LIGANDS, PROCESS FOR THEIR PREPARATION AND METHODS OF USE THEREOF PPARA, PPARG, PPARD MAPT 4800/4885RAB9A 3701/4885ALDH1A1 262/4885
US-20040198786-A1 Cycloalkyl derivatives having bioisosteric carboxylic acid groups, processes for their preparation and their use as pharmaceuticals GPR119, CPT1A, PC MAPT 4089/4885RAB9A 3159/4885ALDH1A1 159/4885

“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.