SCHEMBL3556026

SCHEMBL3556026

Cn1cncc1C(CC(=O)O)c1ccc(O)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.47
KEAP1 Q14145 2/20 0.37
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
FNTA P49354 6/20 0.35
FNTB P49356 6/20 0.35
PGGT1B P53609 4/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
CYP19A1 P11511 1/20 0.33

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
SCHEMBL13318215 0.85 CYP1A2 (0.40) FFAR1ALDH1A1ESR1ESR2
SCHEMBL3553815 0.85 CYP1A2 (0.40) FFAR1ALDH1A1ESR1ESR2
SCHEMBL3553967 0.77 FFAR1 (0.47) FFAR1KEAP1ALDH1A1TDP1ESR1
SCHEMBL13461665 0.76 CYP17A1 (0.43) ALDH1A1TDP1FNTAFNTBPGGT1B
SCHEMBL2285716 0.75 CA2 (0.48) FFAR1ALDH1A1TDP1ESR1ESR2
Acetic Acid SCHEMBL11105301 0.73 ESR1 (0.47) FFAR1ALDH1A1TDP1ESR1ESR2
SCHEMBL3549582 0.72 FFAR1 (0.56) FFAR1
SCHEMBL14286031 0.72 FFAR1 (0.56) FFAR1
Propionic Acid SCHEMBL11105024 0.72 ESR1 (0.47) FFAR1TDP1ESR1ESR2
SCHEMBL3658988 0.70 CNR1 (0.51) FFAR1ALDH1A1TDP1FNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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

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-20080119511-A1 Benzo-fused compounds for use in treating metabolic disorders GOT2, PC, GLS2 FFAR1 549/4885KEAP1 317/4885ALDH1A1 453/4885
US-20070066647-A1 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders PC, PNLIP, PDHX FFAR1 51/4885KEAP1 1636/4885ALDH1A1 413/4885
US-20090275598-A1 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders PC, PNLIP, PDHX FFAR1 51/4885KEAP1 1636/4885ALDH1A1 413/4885
US-20100137323-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS GOT2, GLS2, PC FFAR1 699/4885KEAP1 240/4885ALDH1A1 412/4885

“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.