SCHEMBL20181273

SCHEMBL20181273

CC(C)(C)COC(=O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.56
ALPI P09923 1/20 0.56
PKM P14618 1/20 0.56
PTGS1 P23219 1/20 0.56
XIAP P98170 1/20 0.56
SLC15A1 P46059 2/20 0.49
LTA4H P09960 1/20 0.46
SLC1A3 P43003 2/20 0.45
SLC1A2 P43004 2/20 0.45
SLC1A1 P43005 2/20 0.45
ITGA4 P13612 1/20 0.45
ITGB7 P26010 1/20 0.45
HDAC8 Q9BY41 2/20 0.44
SRR Q9GZT4 1/20 0.44
ANPEP P15144 1/20 0.43
RNPEP Q9H4A4 1/20 0.43
DNPEP Q9ULA0 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TAAR1 Q96RJ0 2/20 0.43
MAOA P21397 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
SCHEMBL20747695 1.00 SLC7A5 (0.56) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL29725342 1.00 SLC7A5 (0.56) SLC7A5ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL28502881 0.98 SLC7A5 (0.54) SLC7A5ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL28502882 0.98 SLC7A5 (0.54) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL22689089 0.90 SLC7A5 (0.56) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL30921662 0.86 SLC7A5 (0.51) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL1287237 0.85 GAA (0.42) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL17476728 0.84 SLC7A5 (0.53) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL17476731 0.84 SLC7A5 (0.53) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL18653636 0.84 GRIK1 (0.46) SLC7A5ALPIPKMPTGS1XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1119340-C Carbamoyloxy compounds that inhibit VLA-4 mediated leukocyte adhesion ELAND PHARMACEUTICALS CO (US) 2003-08-27 CN claimed
CN-1265657-A Carbamoyloxy compounds that inhibit VLA-4 mediated leukocyte adhesion ELAND PHARMACEUTICALS CO (US) 2000-09-06 CN claimed
US-20190276481-A1 Liver Prodrugs of Mitochondrial Proton Ionophores NEUROVIVE PHARMACEUTICAL AB (SE) 2019-09-12 US disclosed
WO-2018091633-A1 LIVER PRODRUGS OF MITOCHONDRIAL PROTON IONOPHORES NEUROVIVE PHARMACEUTICAL AB (SE) 2018-05-24 WO disclosed
CN-1942161-B Compositions and treatments for demyelinating diseases and paralysis by administration of remyelinating drugs ELAN PHARM INC 2012-05-30 CN disclosed
CN-1942161-A Composition for and treatment of demyelinating diseases and paralysis by administration of remyelinating agents ELAN PHARM INC (US) 2007-04-04 CN disclosed
CN-1119340-C Carbamoyloxy compounds that inhibit VLA-4 mediated leukocyte adhesion ELAND PHARMACEUTICALS CO (US) 2003-08-27 CN disclosed
CN-1265657-A Carbamoyloxy compounds that inhibit VLA-4 mediated leukocyte adhesion ELAND PHARMACEUTICALS CO (US) 2000-09-06 CN 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 (1 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-20190276481-A1 Liver Prodrugs of Mitochondrial Proton Ionophores GLS2, CYP27A1, SLC25A21 SLC7A5 600/4885ALPI 744/4885PKM 700/4885

“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.