SCHEMBL1463995

SCHEMBL1463995

COC(=O)CC(=O)[O-].COC(=O)CC(=O)[O-].[Mg+2]

nearest known ligand 0.52

Known targets — ChEMBL curated mechanism

ATP4AATP4BGABBR1GABBR2HMGCR

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.52
GAA P10253 1/20 0.52
SI P14410 1/20 0.52
MGAM2 Q2M2H8 1/20 0.52
TSHR P16473 4/20 0.50
CA4 P22748 2/20 0.50
HSD17B10 Q99714 2/20 0.46
KMT2A Q03164 2/20 0.37
TET2 Q6N021 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 2/20 0.36
CA12 O43570 1/20 0.36
CA14 Q9ULX7 1/20 0.36
KDM4E B2RXH2 1/20 0.36
RECQL P46063 1/20 0.36
ALDH1A1 P00352 2/20 0.35
FFAR3 O14843 2/20 0.35
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35

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
SCHEMBL3181127 0.94
Potassium Ion SCHEMBL344530 0.94
SCHEMBL3202942 0.94
SCHEMBL3180441 0.94
Lithium Ion SCHEMBL3197975 0.94
SCHEMBL25276832 0.94 MGAM (0.52) MGAMGAASIMGAM2TSHR
Lithium Ion SCHEMBL15950214 0.94 MGAM (0.52) MGAMGAASIMGAM2TSHR
Tetramethylammonium Ion SCHEMBL4772224 0.89 MGAM (0.48) MGAMGAASIMGAM2TSHR
Tetrylammonium SCHEMBL4773294 0.83 MGAM (0.42) MGAMGAASIMGAM2TSHR
Acetoacetic Acid SCHEMBL29060526 0.79 MGAM (0.71) MGAMGAASIMGAM2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260115207-A1 COUMARIN-MODIFIED ANDROGENS FOR THE TREATMENT OF PROSTATE CANCER HEALTH RESEARCH INC (US) 2026-04-30 US disclosed
EP-3962921-B1 COUMARIN-MODIFIED ANDROGENS FOR THE TREATMENT OF PROSTATE CANCER HEALTH RESEARCH INC (US) 2025-11-05 EP disclosed
US-12337004-B2 Coumarin-modified androgens for the treatment of prostate cancer HEALTH RESEARCH, INC. (US) 2025-06-24 US disclosed
US-20220218722-A1 COUMARIN-MODIFIED ANDROGENS FOR THE TREATMENT OF PROSTATE CANCER UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2022-07-14 US disclosed
WO-2020223174-A1 COUMARIN-MODIFIED ANDROGENS FOR THE TREATMENT OF PROSTATE CANCER HEALTH RESEARCH, INC. (US) 2020-11-05 WO disclosed
US-10632191-B2 Synthetic glucopyranosyl lipid adjuvants INFECTIOUS DISEASE RESEARCH INSTITUTE (US) 2020-04-28 US disclosed
EP-3124491-B1 SYNTHETIC GLUCOPYRANOSYL LIPID ADJUVANTS AND VACCINE COMPOSITIONS AS WELL AS PHARMACEUTICAL COMPOSITIONS CONTAINING THEM INFECTIOUS DISEASE RES INST (US) 2019-10-30 EP disclosed
US-20180028649-A1 SYNTHETIC GLUCOPYRANOSYL LIPID ADJUVANTS INFECTIOUS DISEASE RESEARCH INSTITUTE (US) 2018-02-01 US disclosed
US-9814772-B2 Synthetic glucopyranosyl lipid adjuvants INFECTIOUS DISEASE RESEARCH INSTITUTE (US) 2017-11-14 US disclosed
US-20170182155-A1 SYNTHETIC GLUCOPYRANOSYL LIPID ADJUVANTS INFECTIOUS DISEASE RES INST (US) 2017-06-29 US disclosed
EP-1781662-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME Pfizer, Inc. (US) 2007-05-09 EP disclosed
WO-2007023381-A1 METHODS FOR THE PREPARATION OF HCV POLYMERASE INHIBITORS PFIZER INC. (US) 2007-03-01 WO disclosed
US-20070015764-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME AGOURON PHARMACEUTICALS, INC. 2007-01-18 US disclosed
US-7151105-B2 Inhibitors of Hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. (US) 2006-12-19 US disclosed
US-20060122399-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2006-06-08 US disclosed
WO-2006018725-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2006-02-23 WO disclosed
US-5189043-A Useful as an inhibitory agent for the biosynthesis of cholesterol TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-02-23 US disclosed
EP-0424929-A1 Isoquinolone derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-05-02 EP disclosed
US-4870199-A FROM 3-HYDROXY-4-TRIPHENYLMETHOXYBUTANOIC ACID SANDOZ PHARM. CORP. (US) 1989-09-26 US disclosed
EP-0244364-A2 Preparation of olefinic compounds SANDOZ AG (CH) 1987-11-04 EP 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 (8 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-20260115207-A1 COUMARIN-MODIFIED ANDROGENS FOR THE TREATMENT OF PROSTATE CANCER AR, KLK3, SHBG MGAM 4819/4885GAA 4814/4885SI 4545/4885
US-12337004-B2 Coumarin-modified androgens for the treatment of prostate cancer AR, SHBG, NCOA1 MGAM 4015/4885GAA 3821/4885SI 4082/4885
US-20060122399-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, GTF3C4, POLRMT MGAM 3681/4885GAA 320/4885SI 1349/4885
US-20070015764-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME RNASE1, GTF3C4, POLRMT MGAM 3681/4885GAA 320/4885SI 1349/4885
US-10632191-B2 Synthetic glucopyranosyl lipid adjuvants B3GAT3, GLA, LGALS8 MGAM 148/4885GAA 136/4885SI 798/4885
US-20180028649-A1 SYNTHETIC GLUCOPYRANOSYL LIPID ADJUVANTS B3GAT3, GLA, LGALS8 MGAM 148/4885GAA 136/4885SI 798/4885
US-20220218722-A1 COUMARIN-MODIFIED ANDROGENS FOR THE TREATMENT OF PROSTATE CANCER AR, SHBG, NCOA1 MGAM 4015/4885GAA 3821/4885SI 4082/4885
US-20170182155-A1 SYNTHETIC GLUCOPYRANOSYL LIPID ADJUVANTS B3GAT3, GLA, LGALS8 MGAM 141/4885GAA 127/4885SI 785/4885

“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.