SCHEMBL997177

SCHEMBL997177

CC(CCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C)C(=O)OC(CC(=O)[O-])C[N+](C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.61
▸ KMT2A Q03164 5/20 0.61
▸ CYP2C19 P33261 2/20 0.61
▸ RECQL P46063 1/20 0.61
▸ MAPT P10636 4/20 0.60
▸ SLC25A20 O43772 3/20 0.60
▸ TP53 P04637 3/20 0.60
▸ TSHR P16473 3/20 0.60
▸ CYP2D6 P10635 2/20 0.60
▸ SLC6A5 Q9Y345 2/20 0.60
▸ CYP2C9 P11712 2/20 0.60
▸ HIF1A Q16665 2/20 0.60
▸ KDM4E B2RXH2 1/20 0.60
▸ CYP3A4 P08684 1/20 0.60
▸ NFKB1 P19838 1/20 0.60
▸ THPO P40225 1/20 0.60
▸ HSD17B10 Q99714 1/20 0.60
▸ CYP1A2 P05177 4/20 0.56
▸ HRH1 P35367 1/20 0.56
▸ MAPK1 P28482 4/20 0.45

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
SCHEMBL29193534 0.87 MEN1 (0.67) MEN1KMT2ACYP2C19RECQLMAPT
SCHEMBL15667846 0.86 MEN1 (0.54) MEN1KMT2ACYP2C19RECQLMAPT
SCHEMBL7048157 0.85 MEN1 (0.77) MEN1KMT2ACYP2C19RECQLMAPT
SCHEMBL29069435 0.83 MEN1 (0.56) MEN1KMT2ACYP2C19RECQLMAPT
SCHEMBL235232 0.82 MEN1 (0.64) MEN1KMT2ACYP2C19RECQLMAPT
SCHEMBL5824225 0.82 MEN1 (0.63) MEN1KMT2ACYP2C19RECQLMAPT
SCHEMBL1643494 0.82 MEN1 (0.63) MEN1KMT2ACYP2C19RECQLMAPT
SCHEMBL9445136 0.82 MEN1 (0.64) MEN1KMT2ACYP2C19RECQLMAPT
SCHEMBL16513684 0.82 MEN1 (0.49) MEN1KMT2ACYP2C19RECQLMAPT
SCHEMBL358543 0.82 MEN1 (0.55) MEN1KMT2ACYP2C19RECQLMAPT

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3191845-A1 BIOMARKERS FOR ASSESSING BREAST CANCER IDCGS Clínica de Diagnósticos Médicos Ltda (BR) 2017-07-19 — — EP claimed
WO-2016038157-A1 BIOMARKERS FOR ASSESSING BREAST CANCER IDCGS CLÍNICA DE DIAGNÓSTICOS MÉDICOS LTDA (BR) 2016-03-17 — — WO claimed
EP-2449488-A1 METHOD FOR NORMALIZATION IN METABOLOMICS ANALYSIS METHODS WITH ENDOGENOUS REFERENCE METABOLITES BIOCRATES Life Sciences AG (AT) 2012-05-09 — — EP claimed
WO-2011000753-A1 METHOD FOR NORMALIZATION IN METABOLOMICS ANALYSIS METHODS WITH ENDOGENOUS REFERENCE METABOLITES BIOCRATES LIFE SCIENCES AG (AT) 2011-01-06 — — WO claimed
US-20250282755-A1 SMALL MOLECULE STIMULATORS OF STEROID RECEPTOR COACTIVATOR-3 AND METHODS OF THEIR USE AS CARDIOPROTECTIVE AND/OR VASCULAR REGENERATIVE AGENTS BAYLOR COLLEGE OF MEDICINE (US) 2025-09-11 — — US disclosed
US-12338229-B2 Small molecule stimulators of steroid receptor coactivator-3 and methods of their use as cardioprotective and/or vascular regenerative agents BAYLOR COLLEGE OF MEDICINE (US) 2025-06-24 — — US disclosed
CN-120136844-A Small molecule stimulators of steroid receptor coactivator-3 and methods of their use as cardioprotective and/or revascularizing agents 贝勒医学院 2025-06-13 — — CN disclosed
CN-112955217-B Small molecule stimulators of steroid receptor coactivator-3 and methods of their use as cardioprotective and/or revascularizing agents 贝勒医学院 2025-04-08 — — CN disclosed
EP-3922990-B1 SYSTEM FOR AUTOMATIC CHANGING AND SEALING OF DISPOSABLE CHROMATOGRAPHIC COLUMNS IN HIGH-PERFORMANCE LIQUID CHROMATOGRAPHY; MEASUREMENT METHOD AND ITS APPLICATION IN THE ANALYSIS OF BIOMARKER OF RARE DISEASE MS EKSPERT SP Z O O (PL) 2024-05-08 — — EP disclosed
US-20230357200-A1 SMALL MOLECULE STIMULATORS OF STEROID RECEPTOR COACTIVATOR-3 AND METHODS OF THEIR USE AS CARDIOPROTECTIVE AND/OR VASCULAR REGENERATIVE AGENTS BAYLOR COLLEGE OF MEDICINE (US) 2023-11-09 — — US disclosed
US-11708350-B2 Small molecule stimulators of steroid receptor coactivator-3 and methods of their use as cardioprotective and/or vascular regenerative agents BAYLOR COLLEGE OF MEDICINE (US) 2023-07-25 — — US disclosed
US-11493516-B2 Biomarkers for assessing breast cancer METABOLOMYCS, INC (US) 2022-11-08 — — US disclosed
CN-108235734-A Metabonomics profiling of central nervous system injury 伦敦健康科学中心研究有限公司 2018-06-29 — — CN disclosed
US-20170299592-A1 BIOMARKERS FOR ASSESSING BREAST CANCER METABOLOMYCS, INC 2017-10-19 — — US disclosed
EP-3191845-A1 BIOMARKERS FOR ASSESSING BREAST CANCER IDCGS Clínica de Diagnósticos Médicos Ltda (BR) 2017-07-19 — — EP disclosed
WO-2016038157-A1 BIOMARKERS FOR ASSESSING BREAST CANCER IDCGS CLÍNICA DE DIAGNÓSTICOS MÉDICOS LTDA (BR) 2016-03-17 — — WO disclosed
CN-102460160-B For assessment of the neoformation label of kidney trouble BIOCRATES LIFE SCIENCES AG (AT) 2015-08-19 — — CN disclosed
CN-102460160-A New biomarkers for assessing kidney diseases BIOCRATES LIFE SCIENCES AG 2012-05-16 — — CN disclosed
EP-2449488-A1 METHOD FOR NORMALIZATION IN METABOLOMICS ANALYSIS METHODS WITH ENDOGENOUS REFERENCE METABOLITES BIOCRATES Life Sciences AG (AT) 2012-05-09 — — EP disclosed
WO-2011000753-A1 METHOD FOR NORMALIZATION IN METABOLOMICS ANALYSIS METHODS WITH ENDOGENOUS REFERENCE METABOLITES BIOCRATES LIFE SCIENCES AG (AT) 2011-01-06 — — 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 (4 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-20250282755-A1 SMALL MOLECULE STIMULATORS OF STEROID RECEPTOR COACTIVATOR-3 AND METHODS OF THEIR USE AS CARDIOPROTECTIVE AND/OR VASCULAR REGENERATIVE AGENTS NCOA3, FABP3, NCOA1 MEN1 4718/4885KMT2A 4286/4885CYP2C19 4813/4885
US-12338229-B2 Small molecule stimulators of steroid receptor coactivator-3 and methods of their use as cardioprotective and/or vascular regenerative agents NCOA3, FABP3, NCOA1 MEN1 4718/4885KMT2A 4286/4885CYP2C19 4813/4885
US-11708350-B2 Small molecule stimulators of steroid receptor coactivator-3 and methods of their use as cardioprotective and/or vascular regenerative agents NCOA3, FABP3, NCOA1 MEN1 4718/4885KMT2A 4286/4885CYP2C19 4813/4885
US-20230357200-A1 SMALL MOLECULE STIMULATORS OF STEROID RECEPTOR COACTIVATOR-3 AND METHODS OF THEIR USE AS CARDIOPROTECTIVE AND/OR VASCULAR REGENERATIVE AGENTS NCOA3, FABP3, NCOA1 MEN1 4718/4885KMT2A 4286/4885CYP2C19 4813/4885

“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.

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