SCHEMBL5019164

SCHEMBL5019164

N[C@@H](CCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
IDO1 P14902 1/20 0.49
ERAP1 Q9NZ08 3/20 0.49
ANPEP P15144 2/20 0.49
ERAP2 Q6P179 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
SLC1A3 P43003 3/20 0.48
SLC1A1 P43005 3/20 0.48
LNPEP Q9UIQ6 2/20 0.47
SLC15A1 P46059 1/20 0.47
LTA4H P09960 1/20 0.47
LAP3 P28838 1/20 0.47
METAP2 P50579 1/20 0.47
METAP1 P53582 1/20 0.47
GRIK1 P39086 1/20 0.46

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
SCHEMBL1245400 1.00 ALDH1A1 (0.50) ALDH1A1IDO1ERAP1ANPEPERAP2
SCHEMBL8966420 1.00 ALDH1A1 (0.50) ALDH1A1IDO1ERAP1ANPEPERAP2
Hydrochloric Acid SCHEMBL14119382 0.98 ALDH1A1 (0.49) ALDH1A1IDO1ERAP1ANPEPERAP2
Hydrochloric Acid SCHEMBL29131620 0.98 ALDH1A1 (0.49) ALDH1A1IDO1ERAP1ANPEPERAP2
SCHEMBL19542156 0.94 LMNA (0.51) ALDH1A1IDO1ERAP1ANPEPERAP2
SCHEMBL10441465 0.88 IDO1 (0.53) ALDH1A1IDO1ANPEPKMT2AMAPK1
SCHEMBL4161005 0.88 IDO1 (0.53) ALDH1A1IDO1ANPEPKMT2AMAPK1
SCHEMBL8495032 0.87 ERAP1 (0.47) ALDH1A1ERAP1ANPEPERAP2KMT2A
SCHEMBL6076979 0.86 RAB9A (0.53) ALDH1A1ERAP1ANPEPERAP2KMT2A
SCHEMBL6076971 0.86 RAB9A (0.53) ALDH1A1ERAP1ANPEPERAP2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11078233-B2 Tripeptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2021-08-03 US disclosed
US-10787482-B2 Epoxyketone compounds for enzyme inhibition Centrax International Inc. (US) 2020-09-29 US disclosed
US-20200207809-A1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. 2020-07-02 US disclosed
US-10647744-B2 Tripeptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2020-05-12 US disclosed
US-10640533-B2 Epoxyketone compounds for enzyme inhibition CENTRAX INTERNATIONAL, INC. (US) 2020-05-05 US disclosed
US-20200087343-A1 EPOXYKETONE COMPOUNDS FOR ENZYME INHIBITION CENTRAX INTERNATIONAL, INC. (US) 2020-03-19 US disclosed
US-RE47302-E1 Peptide epoxyketone immunoproteasome inhibitors ONYX THERAPEUTICS INC. (US) 2019-03-19 US disclosed
EP-3166933-B1 EPOXYKETONE COMPOUNDS FOR ENZYME INHIBITION CENTRAX INT INC (US) 2018-08-01 EP disclosed
EP-2970224-B1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS INC (US) 2017-09-06 EP disclosed
US-20170158734-A1 EPOXYKETONE COMPOUNDS FOR ENZYME INHIBITION CENTRAX INTERNATIONAL, INC. (US) 2017-06-08 US disclosed
US-9434761-B2 Tripeptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2016-09-06 US disclosed
US-8178490-B2 Polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
US-7902218-B2 Inhibit production of A beta -peptide; neurological disorders, Alzheimer's disease; (S)-2-((S)-3-Acetamido-3-((R)-sec-butyl)-2-oxopyrrolidin-1-yl)-N-((1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-((R)-1,2,3,4-tetrahydroisoquinolin-3-yl)propan-2-yl)-4-phenylbutanamide BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-08 US disclosed
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-06-17 US disclosed
US-7557137-B2 Gamma-lactams as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-07-07 US disclosed
US-20080153868-A1 Substituted Tetrahydroisoquinolines as Beta-secretase Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-06-26 US disclosed
US-7388007-B2 Gamma-lactams as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-17 US disclosed
US-20070265331-A1 Novel gamma-lactams as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-11-15 US disclosed
CN-1032308-C Process for preparing optically active 2-oxoimidazolidine derivatives TANABE SEIYAKU CO (JP) 1996-07-17 CN disclosed
CN-1043705-A The method for preparing opticity 2-oxo-imidazole alkane derivatives TANABE SEIYAKU CO (JP) 1990-07-11 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 (10 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-11078233-B2 Tripeptide epoxy ketone protease inhibitors PREP, CTRL, ENPEP ALDH1A1 1694/4885IDO1 2001/4885ERAP1 6/4885
US-20080153868-A1 Substituted Tetrahydroisoquinolines as Beta-secretase Inhibitors BACE1, APP, BACE2 ALDH1A1 3415/4885IDO1 4375/4885ERAP1 67/4885
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 ALDH1A1 4062/4885IDO1 4219/4885ERAP1 656/4885
US-20200207809-A1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS PREP, CTRL, ENPEP ALDH1A1 1694/4885IDO1 2001/4885ERAP1 6/4885
US-10787482-B2 Epoxyketone compounds for enzyme inhibition PSMD10, PSMC1, PSMB10 ALDH1A1 1707/4885IDO1 3721/4885ERAP1 41/4885
US-10640533-B2 Epoxyketone compounds for enzyme inhibition PSMD10, PSMC1, PSMB10 ALDH1A1 1707/4885IDO1 3721/4885ERAP1 41/4885
US-10647744-B2 Tripeptide epoxy ketone protease inhibitors PREP, CTRL, ENPEP ALDH1A1 1694/4885IDO1 2001/4885ERAP1 6/4885
US-20070265331-A1 Novel gamma-lactams as beta-secretase inhibitors BACE1, APP, BACE2 ALDH1A1 2416/4885IDO1 4130/4885ERAP1 246/4885
US-20170158734-A1 EPOXYKETONE COMPOUNDS FOR ENZYME INHIBITION PSMD10, PSMC1, PSMB10 ALDH1A1 1707/4885IDO1 3721/4885ERAP1 41/4885
US-20200087343-A1 EPOXYKETONE COMPOUNDS FOR ENZYME INHIBITION PSMD10, PSMC1, PSMB10 ALDH1A1 1707/4885IDO1 3721/4885ERAP1 41/4885

“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.