SCHEMBL3549898

SCHEMBL3549898

COC(=O)C[C@@H](c1ccc(O)cc1)c1nnnn1C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.43
SLC1A2 P43004 1/20 0.39
GHSR Q92847 2/20 0.38
MAPT P10636 3/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
MIF P14174 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
KCNA5 P22460 5/20 0.36
TRPV1 Q8NER1 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
ESRRB O95718 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
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
SCHEMBL3549896 1.00 FFAR1 (0.43) FFAR1SLC1A2GHSRMAPTTP53
SCHEMBL3548497 0.87 FFAR1 (0.50) FFAR1SLC1A2KEAP1NFE2L2ALDH1A1
SCHEMBL13318310 0.80 ESR1 (0.36) FFAR1MAPTTP53GAAMIF
SCHEMBL4798756 0.80 FFAR1 (0.43) FFAR1MAPTMIFKCNA5ESR1
SCHEMBL4798747 0.80 FFAR1 (0.43) FFAR1MAPTMIFKCNA5ESR1
SCHEMBL13318212 0.78 FFAR1 (0.51) FFAR1MAPT
SCHEMBL14286085 0.78 FFAR1 (0.51) FFAR1MAPT
SCHEMBL13318307 0.77 POLB (0.39) MAPTTP53GAAMIFKCNA5
SCHEMBL13318309 0.77 POLB (0.39) MAPTTP53GAAMIFKCNA5
SCHEMBL14286213 0.77 POLB (0.39) MAPTTP53GAAMIFKCNA5

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 27 patents — showing the first 20. 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
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-20100137323-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS AMGEN INC. (US) 2010-06-03 US 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-7687526-B2 Benzo-fused compounds for use in treating metabolic disorders AMGEN INC. (US) 2010-03-30 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-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-7465804-B2 Compounds, pharmaceutical compositions and methods for their use in treating metabolic disorders AMGEN INC. (US) 2008-12-16 US disclosed
US-20080119511-A1 Benzo-fused compounds for use in treating metabolic disorders AMGEN INC. (US) 2008-05-22 US disclosed
US-20080119511-A1 Benzo-fused compounds for use in treating metabolic disorders AMGEN INC. (US) 2008-05-22 US 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
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
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
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
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 549/4885SLC1A2 1108/4885GHSR 1046/4885
US-20070066647-A1 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders PC, PNLIP, PDHX FFAR1 51/4885SLC1A2 1366/4885GHSR 339/4885
US-20090275598-A1 Conformationally constrained 3-(4-hydroxy-phenyl)-substituted-propanoic acids useful for treating metabolic disorders PC, PNLIP, PDHX FFAR1 51/4885SLC1A2 1366/4885GHSR 339/4885
US-20060270724-A1 Compounds, pharmaceutical compositions and methods for their use in treating metabolic disorders IAPP, INSR, GPR119 FFAR1 931/4885SLC1A2 3083/4885GHSR 273/4885
US-20100137323-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS GOT2, GLS2, PC FFAR1 699/4885SLC1A2 1126/4885GHSR 917/4885

“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.