SCHEMBL3548497

SCHEMBL3548497

Cn1nnnc1C(CC(=O)O)c1ccc(O)cc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.50
KEAP1 Q14145 4/20 0.44
SLC1A2 P43004 1/20 0.42
NFE2L2 Q16236 1/20 0.42
DHODH Q02127 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RECQL P46063 1/20 0.35

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
SCHEMBL3549898 0.87 FFAR1 (0.43) FFAR1KEAP1SLC1A2NFE2L2ALDH1A1
SCHEMBL3549896 0.87 FFAR1 (0.43) FFAR1KEAP1SLC1A2NFE2L2ALDH1A1
SCHEMBL4739732 0.79 FFAR1 (0.61) FFAR1
SCHEMBL3549820 0.77 FFAR1 (0.51) FFAR1KEAP1
SCHEMBL4736688 0.76 FFAR1 (0.67) FFAR1
SCHEMBL4681590 0.76 FFAR1 (0.67) FFAR1
SCHEMBL3553967 0.75 FFAR1 (0.47) FFAR1KEAP1NFE2L2ALDH1A1
SCHEMBL3549582 0.74 FFAR1 (0.56) FFAR1
SCHEMBL14286031 0.74 FFAR1 (0.56) FFAR1
SCHEMBL2285716 0.74 CA2 (0.48) FFAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893582-B1 Compounds, their pharmaceutical compositions and their use in treating metabolic disorders AMGEN INC (US) 2011-12-14 EP disclosed
US-20100137323-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS AMGEN INC. (US) 2010-06-03 US disclosed
US-7687526-B2 Benzo-fused compounds for use in treating metabolic disorders AMGEN INC. (US) 2010-03-30 US disclosed
US-20090275598-A1 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders AMGEN INC. (US) 2009-11-05 US disclosed
US-7582803-B2 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders AMGEN INC. (US) 2009-09-01 US disclosed
EP-2061760-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS Amgen, Inc (US) 2009-05-27 EP disclosed
EP-2035409-A1 BENZIMIDAZOLE DERIVATIVES WHICH ARE TO BE USED AS ANATGONIST FOR THE CB1-RECEPTOR AstraZeneca AB (SE) 2009-03-18 EP disclosed
US-7465804-B2 Compounds, pharmaceutical compositions and methods for their use in treating metabolic disorders AMGEN INC. (US) 2008-12-16 US disclosed
EP-1924546-A1 CONFORMATIONALLY CONSTRAINED 3- (4-HYDROXY-PHENYL) - SUBSTITUTED-PROPANOIC ACIDS USEFUL FOR TREATING METABOLIC DISORDERS Amgen, Inc (US) 2008-05-28 EP disclosed
US-20080119511-A1 Benzo-fused compounds for use in treating metabolic disorders AMGEN INC. (US) 2008-05-22 US disclosed
WO-2008030618-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS AMGEN INC. (US) 2008-03-13 WO disclosed
EP-1893582-A2 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE IN TREATING METABOLIC DISORDERS Amgen, Inc (US) 2008-03-05 EP disclosed
WO-2007145563-A1 BENZIMIDAZOLE DERIVATIVES WHICH ARE TO BE USED AS ANTAGONIST FOR THE CB1-RECEPTOR ASTRAZENECA AB (SE) 2007-12-21 WO disclosed
US-20070066647-A1 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders AMGEN ING. (US) 2007-03-22 US disclosed
WO-2007033002-A1 CONFORMATIONALLY CONSTRAINED 3- (4-HYDROXY-PHENYL) - SUBSTITUTED-PROPANOIC ACIDS USEFUL FOR TREATING METABOLIC DISORDERS AMGEN INC. (US) 2007-03-22 WO disclosed
WO-2006127503-A2 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE IN TREATING METABOLIC DISORDERS AMGEN INC (US) 2006-11-30 WO disclosed
US-20060270724-A1 Compounds, pharmaceutical compositions and methods for their use in treating metabolic disorders AMGEN INC (US) 2006-11-30 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 (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-20080119511-A1 Benzo-fused compounds for use in treating metabolic disorders GOT2, PC, GLS2 FFAR1 549/4885KEAP1 317/4885SLC1A2 1108/4885
US-20070066647-A1 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders PC, PNLIP, PDHX FFAR1 51/4885KEAP1 1636/4885SLC1A2 1366/4885
US-20090275598-A1 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders PC, PNLIP, PDHX FFAR1 51/4885KEAP1 1636/4885SLC1A2 1366/4885
US-20060270724-A1 Compounds, pharmaceutical compositions and methods for their use in treating metabolic disorders IAPP, INSR, GPR119 FFAR1 931/4885KEAP1 361/4885SLC1A2 3083/4885
US-20100137323-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS GOT2, GLS2, PC FFAR1 699/4885KEAP1 240/4885SLC1A2 1126/4885

“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.