SCHEMBL1914904

SCHEMBL1914904

COc1ccc(CC(CC(=O)OC(C)(C)C)C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.56
KMT2A Q03164 1/20 0.54
PPARG P37231 3/20 0.49
MMP1 P03956 1/20 0.48
MME P08473 1/20 0.46
PPARA Q07869 2/20 0.46
POLB P06746 1/20 0.45
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL1914901 1.00 LDHA (0.56) LDHAKMT2APPARGMMP1MME
SCHEMBL1915678 0.87 MME (0.42) LDHAKMT2APPARGMMP1MME
SCHEMBL7429464 0.86 POLB (0.46) LDHAKMT2APPARGMMP1MME
SCHEMBL26754203 0.86 MME (0.48) KMT2APPARGMMEPPARACA2
SCHEMBL1915759 0.86 MME (0.48) KMT2APPARGMMEPPARACA2
SCHEMBL1704171 0.85 CPA1 (0.60) MMECA2CA9
SCHEMBL1704913 0.85 CPA1 (0.60) MMECA2CA9
SCHEMBL1915766 0.85 CPA1 (0.60) MMECA2CA9
SCHEMBL5702592 0.85 LDHA (0.46) LDHAKMT2APPARGMMP1PPARA
SCHEMBL16232083 0.84 MME (0.64) MMEPOLBCA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11376260-B2 Serine/threonine kinase inhibitors GENENTECH, INC. (US) 2022-07-05 US disclosed
US-20210106593-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2021-04-15 US disclosed
US-10842799-B2 Serine/threonine kinase inhibitors GENENTECH, INC. (US) 2020-11-24 US disclosed
US-20200078371-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2020-03-12 US disclosed
US-20190192534-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2019-06-27 US disclosed
US-10278975-B2 Serine/threonine kinase inhibitors GENENTECH, INC. (US) 2019-05-07 US disclosed
EP-3077401-B1 SERINE/THREONINE KINASE INHIBITORS GENENTECH INC (US) 2018-04-18 EP disclosed
US-9867833-B2 Serine/threonine kinase inhibitors GENENTECH, INC. (US) 2018-01-16 US disclosed
US-20180000833-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2018-01-04 US disclosed
EP-3077401-A1 SERINE/THREONINE KINASE INHIBITORS Genentech, Inc. (US) 2016-10-12 EP disclosed
US-20150182537-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2015-07-02 US disclosed
WO-2015085007-A1 SERINE/THREONINE KINASE INHIBITORS GENENTECH, INC. (US) 2015-06-11 WO disclosed
CN-102245574-A Compounds, pharmaceutical compositions and methods for treating metabolic disorders EUROSCREEN SA 2011-11-16 CN disclosed
US-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-09-22 US disclosed
EP-2364297-A1 Compounds, pharmaceutical composition and methods for use in treating metabolic disorders Euroscreen S.A. (BE) 2011-09-14 EP disclosed
WO-2011076734-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATORY DISEASES EUROSCREEN S.A. (BE) 2011-06-30 WO disclosed
WO-2011076732-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING GASTROINTESTINAL DISORDERS EUROSCREEN S.A. (BE) 2011-06-30 WO disclosed
WO-2010066682-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2010-06-17 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 (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-11376260-B2 Serine/threonine kinase inhibitors MAP3K1, MAP3K4, MAP4K2 LDHA 3625/4885KMT2A 2568/4885PPARG 4471/4885
US-10842799-B2 Serine/threonine kinase inhibitors MAP3K1, MAP3K4, MAP4K2 LDHA 3625/4885KMT2A 2568/4885PPARG 4471/4885
US-20150182537-A1 SERINE/THREONINE KINASE INHIBITORS MAP3K1, MAP3K4, MAP4K2 LDHA 3625/4885KMT2A 2568/4885PPARG 4471/4885
US-20180000833-A1 SERINE/THREONINE KINASE INHIBITORS MAP3K1, MAP3K4, MAP4K2 LDHA 3625/4885KMT2A 2568/4885PPARG 4471/4885
US-10278975-B2 Serine/threonine kinase inhibitors MAP3K1, MAP3K4, MAP4K2 LDHA 3625/4885KMT2A 2568/4885PPARG 4471/4885
US-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS CPT1A, LIPC, PC LDHA 752/4885KMT2A 3648/4885PPARG 132/4885
US-20190192534-A1 SERINE/THREONINE KINASE INHIBITORS MAP3K1, MAP3K4, MAP4K2 LDHA 3625/4885KMT2A 2568/4885PPARG 4471/4885
US-20210106593-A1 SERINE/THREONINE KINASE INHIBITORS MAP3K1, MAP3K4, MAP4K2 LDHA 3625/4885KMT2A 2568/4885PPARG 4471/4885
US-20200078371-A1 SERINE/THREONINE KINASE INHIBITORS MAP3K1, MAP3K4, MAP4K2 LDHA 3625/4885KMT2A 2568/4885PPARG 4471/4885

“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.