SCHEMBL1049607

SCHEMBL1049607

Cc1ccc(-c2nc(CO)c(C(C)C)o2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
IKBKB O14920 2/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 4/20 0.41
HSD17B10 Q99714 4/20 0.41
TP53 P04637 3/20 0.41
KDM4E B2RXH2 2/20 0.41
TARBP2 Q15633 1/20 0.40
PKM P14618 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
THRB P10828 3/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 2/20 0.38
KMT2A Q03164 2/20 0.38

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
SCHEMBL7738139 0.88 NPC1 (0.41) SMN1; SMN2IKBKBNPC1RAB9AALDH1A1
SCHEMBL16399868 0.86 NOTUM (0.49) SMN1; SMN2IKBKBNPC1RAB9AALDH1A1
SCHEMBL18003599 0.86 GCGR (0.46) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL1050172 0.84 NPC1 (0.41) SMN1; SMN2IKBKBNPC1RAB9AALDH1A1
SCHEMBL18003565 0.82 IKBKB (0.43) SMN1; SMN2IKBKBNPC1RAB9AALDH1A1
SCHEMBL18003443 0.81 KDM4E (0.47) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL4925692 0.80 TP53 (0.52) SMN1; SMN2NPC1RAB9AALDH1A1HPGD
SCHEMBL18003337 0.80 GCGR (0.42) ALDH1A1POLBKMT2AGAA
SCHEMBL18002992 0.80 NOTUM (0.42) SMN1; SMN2NPC1RAB9AALDH1A1HSD17B10
SCHEMBL18003440 0.79 PPARG (0.42) HPGDKDM4ENPSR1KMT2A

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 33 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
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-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
US-20080167354-A1 ARYLYCLOALKYL-SUBSTITUTED ALKANOIC ACID DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-07-10 US disclosed
US-20080167354-A1 ARYLYCLOALKYL-SUBSTITUTED ALKANOIC ACID DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-07-10 US disclosed
US-20080167354-A1 ARYLYCLOALKYL-SUBSTITUTED ALKANOIC ACID DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-07-10 US disclosed
EP-1599452-B1 3-(2-PHENYL-OXAZOL-4-YL METHOXY) CYCLOHEXYLMETHOXY ACETIC ACID DERIVATIVES AND RELATED COMPOUNDS USED AS PPAR MODULATORS FOR TREATING TYPE 2 DIABETES AND ARTERIOSCLEROSIS SANOFI AVENTIS DEUTSCHLAND (DE) 2007-06-20 EP disclosed
EP-1599453-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 Sanofi-Aventis Deutschland GmbH (DE) 2005-11-30 EP disclosed
EP-1599455-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 Sanofi-Aventis Deutschland GmbH (DE) 2005-11-30 EP disclosed
EP-1599452-A1 3-(2-PHENYL-OXAZOL-4-YL METHOXY) CYCLOHEXYLMETHOXY ACETIC ACID DERIVATIVES AND RELATED COMPOUNDS USED AS PPAR MODULATORS FOR TREATING TYPE 2 DIABETES AND ARTERIOSCLEROSIS Sanofi-Aventis Deutschland GmbH (DE) 2005-11-30 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
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
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-2004076427-A1 3-(2-PHENYL-OXAZOL-4-YL METHOXY) CYCLOHEXYLMETHOXY ACETIC ACID DERIVATIVES AND RELATED COMPOUNDS USED AS PPAR MODULATORS FOR TREATING TYPE 2 DIABETES AND ARTERIOSCLEROSIS 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-20080167354-A1 ARYLYCLOALKYL-SUBSTITUTED ALKANOIC ACID DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS GPR119, FFAR1, FFAR2 SMN1; SMN2 2586/4885IKBKB 572/4885NPC1 506/4885
US-20050215596-A1 Cycloalkyl-substituted amino acid derivatives, processes for their preparation and their use as pharmaceuticals DNPEP, DDC, AADAT SMN1; SMN2 3984/4885IKBKB 1928/4885NPC1 657/4885
US-20040209920-A1 Arylcycloalkyl-substituted alkanoic acid derivatives, processes for their preparation and their use as pharmaceuticals GPR119, FFAR1, FFAR2 SMN1; SMN2 2706/4885IKBKB 652/4885NPC1 377/4885
US-20050101637-A1 Cycloalkylmethoxy-substituted acetic acid derivatives, processes for their preparation and their use as pharmaceuticals GPR119, PC, CPT1A SMN1; SMN2 1912/4885IKBKB 1045/4885NPC1 673/4885

“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.