SCHEMBL1708893

SCHEMBL1708893

COC[C@H](N)C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
IDO1 P14902 2/20 0.48
SLC1A1 P43005 4/20 0.48
KMT2A Q03164 2/20 0.47
MAPK1 P28482 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
SLC15A1 P46059 2/20 0.46
LTA4H P09960 2/20 0.46
LAP3 P28838 1/20 0.46
SLC1A3 P43003 3/20 0.45
SLC1A2 P43004 2/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALPI P09923 1/20 0.44

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
Hydrochloric Acid SCHEMBL25224887 1.00 ALDH1A1 (0.53) ALDH1A1IDO1SLC1A1KMT2AMAPK1
SCHEMBL6118400 1.00 ALDH1A1 (0.53) ALDH1A1IDO1SLC1A1KMT2AMAPK1
Hydrochloric Acid SCHEMBL4704977 1.00 ALDH1A1 (0.53) ALDH1A1IDO1SLC1A1KMT2AMAPK1
Hydrochloric Acid SCHEMBL4704980 1.00 ALDH1A1 (0.53) ALDH1A1IDO1SLC1A1KMT2AMAPK1
SCHEMBL6119410 1.00 ALDH1A1 (0.53) ALDH1A1IDO1SLC1A1KMT2AMAPK1
Hydrochloric Acid SCHEMBL11024444 0.87 SLC1A1 (0.59) ALDH1A1IDO1SLC1A1KMT2AMAPK1
Hydrochloric Acid SCHEMBL29556904 0.87 SLC1A1 (0.59) ALDH1A1IDO1SLC1A1KMT2AMAPK1
Hydrochloric Acid SCHEMBL20996762 0.87 SLC1A1 (0.59) ALDH1A1IDO1SLC1A1KMT2AMAPK1
SCHEMBL23947614 0.86 ALDH1A1 (0.52) ALDH1A1IDO1SLC1A1KMT2AMAPK1
SCHEMBL7419155 0.85 SLC1A1 (0.60) ALDH1A1IDO1SLC1A1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3464321-B1 PROTEASOME INHIBITORS MAX PLANCK GESELLSCHAFT (DE) 2023-01-25 EP disclosed
US-11345724-B2 Proteasome inhibitors MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2022-05-31 US disclosed
US-10829470-B2 Compounds and uses thereof for the modulation of hemoglobin GLOBAL BLOOD THERAPEUTICS, INC. (US) 2020-11-10 US disclosed
US-20200325171-A1 PROTEASOME INHIBITORS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2020-10-15 US disclosed
US-10787482-B2 Epoxyketone compounds for enzyme inhibition Centrax International Inc. (US) 2020-09-29 US disclosed
US-20200087343-A1 EPOXYKETONE COMPOUNDS FOR ENZYME INHIBITION CENTRAX INTERNATIONAL, INC. (US) 2020-03-19 US disclosed
US-20190112287-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2019-04-18 US disclosed
WO-2018112078-A1 GASTRO-RETENTIVE MODIFIED RELEASE DOSAGE FORMS FOR OPROZOMIB AND PROCESS TO MAKE THEREOF AMGEN INC. (US) 2018-06-21 WO disclosed
US-20180161279-A1 GASTRO-RETENTIVE MODIFIED RELEASE DOSAGE FORMS FOR OPROZOMIB AND PROCESS TO MAKE THEREOF AMGEN INC. 2018-06-14 US disclosed
WO-2018057453-A1 IMMEDIATE RELEASE FORMULATIONS FOR OPROZOMIB AMGEN INC. (US) 2018-03-29 WO disclosed
US-20120088903-A1 CRYSTALLINE TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. 2012-04-12 US disclosed
US-20120077855-A1 CRYSTALLINE TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. 2012-03-29 US disclosed
US-20100240903-A1 CRYSTALLINE TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. (US) 2010-09-23 US disclosed
US-7687456-B2 Compounds for enzyme inhibition PROTEOLIX, INC. (US) 2010-03-30 US disclosed
US-20090203698-A1 Compounds for Enzyme Inhibition PROTEOLIX, INC. (US) 2009-08-13 US disclosed
EP-1567489-B1 PYRROLIDIN-2-ONE DERIVATIVES AS INHIBITORS OF THROMBIN AND FACTOR XA GLAXO GROUP LTD (GB) 2008-07-23 EP disclosed
US-20070105786-A1 Peptide-based compounds include at least three peptide units, an epoxide or aziridine, and functionalization at the N-terminus inhibit specific activities of N-terminal nucleophile (Ntn) hydrolases, e.g., the chymotrypsin-like activity of the 20S proteasome; antiproliferative and antiinflammatory agents PROTEOLIX, INC. (US) 2007-05-10 US disclosed
US-20060166985-A1 Pyrrolydin-2-one derivatives as inhibitors of thrombin and factor xa GLAXO GROUP LIMITED (GB) 2006-07-27 US disclosed
EP-1567489-A1 PYRROLIDIN-2-ONE DERIVATIVES AS INHIBITORS OF THROMBIN AND FACTOR XA GLAXO GROUP LIMITED (GB) 2005-08-31 EP disclosed
WO-2004052851-A1 PYRROLYDIN-2-ONE DERIVATIVES AS INHIBITORS OF THROMBIN AND FACTOR XA GLAXO GROUP LIMITED (GB) 2004-06-24 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 (13 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-20200325171-A1 PROTEASOME INHIBITORS PSMB1, PSMB2, PSMB5 ALDH1A1 3387/4885IDO1 3441/4885SLC1A1 3481/4885
US-10787482-B2 Epoxyketone compounds for enzyme inhibition PSMD10, PSMC1, PSMB10 ALDH1A1 1707/4885IDO1 3721/4885SLC1A1 4049/4885
US-20070105786-A1 Peptide-based compounds include at least three peptide units, an epoxide or aziridine, and functionalization at the N-terminus inhibit specific activities of N-terminal nucleophile (Ntn) hydrolases, e.g., the chymotrypsin-like activity of the 20S proteasome; antiproliferative and antiinflammatory agents ANPEP, PSMB1, PSMB3 ALDH1A1 3650/4885IDO1 2072/4885SLC1A1 4318/4885
US-20060166985-A1 Pyrrolydin-2-one derivatives as inhibitors of thrombin and factor xa TFPI, TFPI2, SERPINC1 ALDH1A1 3827/4885IDO1 547/4885SLC1A1 4830/4885
US-20180161279-A1 GASTRO-RETENTIVE MODIFIED RELEASE DOSAGE FORMS FOR OPROZOMIB AND PROCESS TO MAKE THEREOF GIPR, OPRL1, MLNR ALDH1A1 3729/4885IDO1 3930/4885SLC1A1 916/4885
US-10829470-B2 Compounds and uses thereof for the modulation of hemoglobin HBG2, HBG1, HBB ALDH1A1 1089/4885IDO1 2927/4885SLC1A1 4471/4885
US-11345724-B2 Proteasome inhibitors PSMB1, PSMB2, PSMB5 ALDH1A1 3319/4885IDO1 3436/4885SLC1A1 3469/4885
US-20090203698-A1 Compounds for Enzyme Inhibition ANPEP, HPN, DNPEP ALDH1A1 3041/4885IDO1 1172/4885SLC1A1 3694/4885
US-20100240903-A1 CRYSTALLINE TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS PREP, CTSC, PEPD ALDH1A1 2956/4885IDO1 2481/4885SLC1A1 3615/4885
US-20190112287-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB ALDH1A1 1089/4885IDO1 2927/4885SLC1A1 4471/4885
US-20200087343-A1 EPOXYKETONE COMPOUNDS FOR ENZYME INHIBITION PSMD10, PSMC1, PSMB10 ALDH1A1 1707/4885IDO1 3721/4885SLC1A1 4049/4885
US-20120077855-A1 CRYSTALLINE TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS CTSC, PEPD, PREP ALDH1A1 3205/4885IDO1 2091/4885SLC1A1 3789/4885
US-20120088903-A1 CRYSTALLINE TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS PREP, CTSC, PEPD ALDH1A1 2956/4885IDO1 2481/4885SLC1A1 3615/4885

“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.