SCHEMBL8283100

SCHEMBL8283100

COc1ccc(C[C@H](C)C(=O)O)cc1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.73
PPARG P37231 2/20 0.57
PPARA Q07869 1/20 0.57
SLC6A4 P31645 1/20 0.56
ACACB O00763 1/20 0.50
MMP3 P08254 1/20 0.49
FFAR1 O14842 1/20 0.49

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
SCHEMBL663059 1.00 LDHA (0.73) LDHAPPARGPPARASLC6A4ACACB
SCHEMBL28745254 0.95 LDHA (0.67) LDHAPPARGPPARASLC6A4MMP3
SCHEMBL27795435 0.87 LDHA (0.65) LDHAPPARGPPARASLC6A4ACACB
SCHEMBL15139563 0.86 LDHA (0.65) LDHAPPARGPPARASLC6A4ACACB
SCHEMBL11237591 0.86 TBXAS1 (0.59) LDHAFFAR1
SCHEMBL23051836 0.85 LDHA (0.62) LDHAPPARGPPARASLC6A4ACACB
SCHEMBL3832306 0.85 LDHA (0.62) LDHAPPARGPPARASLC6A4ACACB
SCHEMBL490716 0.85 LDHA (1.00) LDHAPPARGPPARASLC6A4FFAR1
SCHEMBL8533256 0.84 LDHA (0.61) LDHAPPARGPPARASLC6A4MMP3
SCHEMBL13623718 0.84 LDHA (0.61) LDHASLC6A4ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230165932-A1 PCSK9 ANTAGONIST COMPOUNDS MERCK SHARP & DOHME LLC 2023-06-01 US disclosed
US-20230159592-A1 PCSK9 ANTAGONIST COMPOUNDS MERCK SHARP & DOHME LLC 2023-05-25 US disclosed
US-20230144324-A1 PCSK9 ANTAGONIST COMPOUNDS MERCK SHARP & DOHME LLC 2023-05-11 US disclosed
US-20180002709-A1 RIBOSOME-MEDIATED INCORPORATION OF PEPTIDES AND PEPTIDOMIMETICS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-01-04 US disclosed
US-9657057-B2 Dipeptide and tripeptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2017-05-23 US disclosed
US-20160368946-A1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. 2016-12-22 US disclosed
US-9434761-B2 Tripeptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2016-09-06 US disclosed
US-20160031934-A1 DIPEPTIDE AND TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. 2016-02-04 US disclosed
US-8980833-B2 Tubulysine derivatives R&D-BIOPHARMACEUTICALS GMBH (DE) 2015-03-17 US disclosed
US-8735441-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2014-05-27 US disclosed
US-8431571-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2013-04-30 US disclosed
US-20130041008-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS, INC. (US) 2013-02-14 US disclosed
US-20130035297-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS, INC. (US) 2013-02-07 US disclosed
US-20120129779-A1 TUBULYSINE DERIVATIVES R&D-BIOPHARMACEUTICALS GMBH (DE) 2012-05-24 US disclosed
US-8030279-B2 Tamandarin analogs and fragments thereof and methods of making and using THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2011-10-04 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 (9 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-20180002709-A1 RIBOSOME-MEDIATED INCORPORATION OF PEPTIDES AND PEPTIDOMIMETICS NPEPPS, DNPEP, AARS1 LDHA 4109/4885PPARG 4434/4885PPARA 3737/4885
US-20230165932-A1 PCSK9 ANTAGONIST COMPOUNDS PCSK9, PCSK7, PCSK6 LDHA 3870/4885PPARG 1703/4885PPARA 1100/4885
US-20230159592-A1 PCSK9 ANTAGONIST COMPOUNDS PCSK9, PCSK7, PCSK6 LDHA 4338/4885PPARG 2394/4885PPARA 2167/4885
US-20160031934-A1 DIPEPTIDE AND TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS PREP, PEPD, DNPEP LDHA 3690/4885PPARG 2247/4885PPARA 1667/4885
US-20160368946-A1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS PREP, CTRL, ENPEP LDHA 3237/4885PPARG 1490/4885PPARA 1254/4885
US-20130041008-A1 COMPOUNDS FOR ENZYME INHIBITION PSME1, PSMB1, PSME3 LDHA 3817/4885PPARG 4475/4885PPARA 4343/4885
US-20120129779-A1 TUBULYSINE DERIVATIVES GLS, TPX2, HKDC1 LDHA 1893/4885PPARG 4762/4885PPARA 4667/4885
US-20230144324-A1 PCSK9 ANTAGONIST COMPOUNDS PCSK9, PCSK7, PCSK6 LDHA 3384/4885PPARG 1396/4885PPARA 850/4885
US-20130035297-A1 COMPOUNDS FOR ENZYME INHIBITION PSME1, PSMB1, PSME3 LDHA 3817/4885PPARG 4475/4885PPARA 4343/4885

“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.