SCHEMBL3549203

SCHEMBL3549203

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.49
ESR2 Q92731 3/20 0.49
KCNA5 P22460 4/20 0.39
MAPT P10636 3/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HTT P42858 2/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 2/20 0.36
HSD17B10 Q99714 1/20 0.36
ESRRB O95718 1/20 0.35
ABCB1 P08183 1/20 0.35
TDP1 Q9NUW8 2/20 0.34

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
SCHEMBL3549201 1.00 ESR1 (0.49) ESR1ESR2KCNA5MAPTRAB9A
SCHEMBL3554144 0.82 L3MBTL1 (0.54) ESR1ESR2MAPTALDH1A1CA2
SCHEMBL6390975 0.82 ESR1 (0.66) ESR1ESR2MAPTRAB9AALDH1A1
SCHEMBL14286018 0.76 ESR1 (0.41) ESR1ESR2KCNA5MAPTRAB9A
SCHEMBL4486192 0.75 TAAR1 (0.52) ESR1ESR2MAPTRAB9AALDH1A1
SCHEMBL14042112 0.75 TAAR1 (0.52) ESR1ESR2MAPTRAB9AALDH1A1
SCHEMBL14567176 0.75 ESR1 (0.48) ESR1ESR2MAPTRAB9AALDH1A1
SCHEMBL2881396 0.75 ESR1 (0.48) ESR1ESR2MAPTRAB9AALDH1A1
SCHEMBL4484678 0.75 TAAR1 (0.52) ESR1ESR2MAPTRAB9AALDH1A1
SCHEMBL13140497 0.75 ESR1 (0.48) ESR1ESR2MAPTRAB9AALDH1A1

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 16 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
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-7465804-B2 Compounds, pharmaceutical compositions and methods for their use in treating metabolic disorders AMGEN INC. (US) 2008-12-16 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-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
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 (3 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 ESR1 500/4885ESR2 417/4885KCNA5 1645/4885
US-20060270724-A1 Compounds, pharmaceutical compositions and methods for their use in treating metabolic disorders IAPP, INSR, GPR119 ESR1 1798/4885ESR2 1018/4885KCNA5 966/4885
US-20100137323-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS GOT2, GLS2, PC ESR1 394/4885ESR2 454/4885KCNA5 1134/4885

“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.