SCHEMBL11969713

SCHEMBL11969713

COC(=O)c1ccc(C[C@@H](C(=O)O)c2ccc(C=CC(C)(C)C)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
ALDH1A1 P00352 1/20 0.40
PTPN1 P18031 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
NPC1 O15118 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL11969709 1.00 ESR1 (0.41) ESR1ESR2ALDH1A1PTPN1HDAC3
SCHEMBL2662481 1.00 ESR1 (0.41) ESR1ESR2ALDH1A1PTPN1HDAC3
SCHEMBL2662483 1.00 ESR1 (0.41) ESR1ESR2ALDH1A1PTPN1HDAC3
SCHEMBL2669644 1.00 ESR1 (0.41) ESR1ESR2ALDH1A1PTPN1HDAC3
SCHEMBL2669791 1.00 ESR1 (0.41) ESR1ESR2ALDH1A1PTPN1HDAC3
SCHEMBL21170666 0.89 CYP4A11 (0.41) ALDH1A1PTPN1HDAC3HDAC4HDAC1
SCHEMBL11999631 0.87 PTGS1 (0.41) ESR1ESR2LMNAPTGS1PTGS2
SCHEMBL11999632 0.87 PTGS1 (0.41) ESR1ESR2LMNAPTGS1PTGS2
SCHEMBL11999630 0.87 PTGS1 (0.41) ESR1ESR2LMNAPTGS1PTGS2
SCHEMBL2658400 0.82 CA1 (0.56) ESR1ESR2LOXL2NPC1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10807946-B2 Antagonists of the glucagon receptor METABASIS THERAPEUTICS, INC. (US) 2020-10-20 US disclosed
US-20190218176-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2019-07-18 US disclosed
US-10239829-B2 Antagonists of the glucagon receptor METABASIS THERAPEUTICS, INC. (US) 2019-03-26 US disclosed
EP-2786985-B1 Antagonists of the glucagon receptor METABASIS THERAPEUTICS INC (US) 2018-11-28 EP disclosed
US-20170275246-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR METABASIS THERAPEUTICS, INC. 2017-09-28 US disclosed
US-9701626-B2 Antagonists of the glucagon receptor METABASIS THERAPEUTICS, INC. (US) 2017-07-11 US disclosed
US-20160009639-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR METABASIS THERAPEUTICS INC (US) 2016-01-14 US disclosed
US-9169201-B2 Antagonists of the glucagon receptor METABASIS THERAPEUTICS, INC. (US) 2015-10-27 US disclosed
EP-2786985-A2 Antagonists of the glucagon receptor Metabasis Therapeutics, Inc. (US) 2014-10-08 EP disclosed
EP-2129654-B1 ANTAGONISTS OF THE GLUCAGON RECEPTOR METABASIS THERAPEUTICS INC (US) 2014-05-28 EP disclosed
US-20140135400-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR METABASIS THERAPEUTICS, INC. (US) 2014-05-15 US disclosed
US-8710236-B2 Antagonists of the glucagon receptor METABASIS THERAPEUTICS, INC. (US) 2014-04-29 US disclosed
US-20120214769-A1 Novel Antagonists of the Glucagon Receptor METABASIS THERAPEUTICS, INC. (US) 2012-08-23 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 (7 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-20160009639-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR GLP1R, GCGR, GPR119 ESR1 1070/4885ESR2 685/4885ALDH1A1 4642/4885
US-20190218176-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR GLP1R, GCGR, GPR119 ESR1 1146/4885ESR2 694/4885ALDH1A1 4644/4885
US-10239829-B2 Antagonists of the glucagon receptor GLP1R, GCGR, GPR119 ESR1 1034/4885ESR2 716/4885ALDH1A1 4662/4885
US-20140135400-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR GLP1R, GCGR, GPR119 ESR1 1070/4885ESR2 685/4885ALDH1A1 4642/4885
US-20120214769-A1 Novel Antagonists of the Glucagon Receptor GLP1R, GCGR, GPR119 ESR1 1070/4885ESR2 685/4885ALDH1A1 4642/4885
US-20170275246-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR GLP1R, GCGR, GPR119 ESR1 1070/4885ESR2 685/4885ALDH1A1 4642/4885
US-10807946-B2 Antagonists of the glucagon receptor GLP1R, GCGR, GPR119 ESR1 991/4885ESR2 698/4885ALDH1A1 4657/4885

“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.