SCHEMBL2774033

SCHEMBL2774033

CC(C)C(=O)O.CC(C)C(=O)O.CC(C)C(=O)O.CC(C)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.61
SLC7A5 Q01650 1/20 0.47
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43
RECQL P46063 1/20 0.43
FFAR3 O14843 1/20 0.42
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
ABCB11 O95342 1/20 0.40
F2 P00734 1/20 0.40
RNPEP Q9H4A4 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL3662 1.00
SCHEMBL2531259 1.00 TP53 (0.61) TP53SLC7A5ALDH1A1TSHRLMNA
SCHEMBL17767367 1.00 TP53 (0.61) TP53SLC7A5ALDH1A1TSHRLMNA
SCHEMBL5940223 1.00 TP53 (0.61) TP53SLC7A5ALDH1A1TSHRLMNA
SCHEMBL10857351 1.00
Hydrogen Peroxide SCHEMBL28852493 1.00
SCHEMBL17767389 1.00 TP53 (0.61) TP53SLC7A5ALDH1A1TSHRLMNA
SCHEMBL4640114 1.00 TP53 (0.61) TP53SLC7A5ALDH1A1TSHRLMNA
SCHEMBL405938 1.00 TP53 (0.61) TP53SLC7A5ALDH1A1TSHRLMNA
SCHEMBL1331326 1.00

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140080769-A1 SUBSTRATE REDUCTION THERAPY THE CHANCELLOR, MASTERS AND SCHOLARS OF THE UNIVERSITY OF OXFORD (GB) 2014-03-20 US claimed
US-20100204162-A1 SUBSTRATE REDUCTION THERAPY THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2010-08-12 US claimed
EP-2182936-A2 SUBSTRATE REDUCTION THERAPY THE CHANCELLOR, MASTERS AND SCHOLARS OF THE UNIVERSITY OF OXFORD (GB) 2010-05-12 EP claimed
US-20100022620-A1 EPITOPE REDUCTION THERAPY ISIS INNOVATION LIMITED (GB) 2010-01-28 US claimed
WO-2009141627-A1 TREATING NIEMANN-PICK DISEASE TYPE C AND RELATED DISORDERS BY ELEVATING INTRACELLULAR CALCIUM ISIS INNOVATION LIMITED (GB) 2009-11-26 WO claimed
EP-2051708-A2 EPITOPE REDUCTION THERAPY ISIS Innovation Limited (GB) 2009-04-29 EP claimed
WO-2009001097-A2 SUBSTRATE REDUCTION THERAPY ISIS INNOVATION LIMITED (GB) 2008-12-31 WO claimed
WO-2008012555-A2 EPITOPE REDUCTION THERAPY ISIS INNOVATION LIMITED (GB) 2008-01-31 WO claimed
EP-0367748-B1 Novel antiviral compounds SEARLE & CO (US) 1995-01-25 EP claimed
US-5310745-A Acylated derivatives of 1,5-dideoxy-1,5-imino-D-glucitol, AIDS G. D. SEARLE & CO. (US) 1994-05-10 US claimed
US-5003072-A Viricides G. D. SEARLE & CO. (US) 1991-03-26 US claimed
EP-0367748-A2 Novel antiviral compounds G.D. SEARLE & COMPANY (US) 1990-05-09 EP claimed
EP-2182936-B1 SUBSTRATE REDUCTION THERAPY THE CHANCELLOR MASTERS AND SCHOLARS OF THE UNIV OF OXFORD (GB) 2020-04-01 EP disclosed
US-20180125796-A1 TREATMENT OF MYCOBACTERIAL INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-05-10 US disclosed
US-9428541-B2 Substrate reduction therapy THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-08-30 US disclosed
WO-2016110702-A1 TREATMENT OF MYCOBACTERIAL INFECTION ISIS INNOVATION LIMITED (GB) 2016-07-14 WO disclosed
EP-0494850-A2 Novel antiviral compounds G.D. Searle & Co. (US) 1992-07-15 EP disclosed
US-5003072-A Viricides G. D. SEARLE & CO. (US) 1991-03-26 US disclosed
EP-0367748-A2 Novel antiviral compounds G.D. SEARLE & COMPANY (US) 1990-05-09 EP disclosed
EP-0157603-A2 1, 3-Benzoxathiole derivatives, their use and their preparation SANKYO COMPANY LIMITED (JP) 1985-10-09 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 (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-20180125796-A1 TREATMENT OF MYCOBACTERIAL INFECTION UGCG, SMPD1, SMPD4 TP53 4540/4885SLC7A5 1626/4885ALDH1A1 1992/4885
US-20100204162-A1 SUBSTRATE REDUCTION THERAPY GBA1, SPTLC2, NPC1L1 TP53 4801/4885SLC7A5 722/4885ALDH1A1 1512/4885
US-20140080769-A1 SUBSTRATE REDUCTION THERAPY GBA1, SPTLC2, NPC1L1 TP53 4801/4885SLC7A5 722/4885ALDH1A1 1512/4885
US-20100022620-A1 EPITOPE REDUCTION THERAPY UGCG, GBA1, ENGASE TP53 2200/4885SLC7A5 1667/4885ALDH1A1 3274/4885

“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.