SCHEMBL1701751

SCHEMBL1701751

C=C(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.64
ALOX15 P16050 1/20 0.64
CTSL P07711 4/20 0.62
CTSB P07858 3/20 0.62
CTSS P25774 2/20 0.62
CTSK P43235 2/20 0.62
TACR1 P25103 2/20 0.60
CAPN1 P07384 2/20 0.57
CTRB1 P17538 2/20 0.56

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
SCHEMBL1709151 1.00 ALDH1A1 (0.64) ALDH1A1ALOX15CTSLCTSBCTSS
SCHEMBL8784931 0.89 ALDH1A1 (0.67) ALDH1A1ALOX15CTSLCTSBCTSS
SCHEMBL8701970 0.89 ALDH1A1 (0.67) ALDH1A1ALOX15CTSLCTSBCTSS
SCHEMBL7287532 0.89 ALDH1A1 (0.67) ALDH1A1ALOX15CTSLCTSBCTSS
SCHEMBL18257516 0.87 CTSK (0.67) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL8276390 0.87 CTSK (0.67) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL1701842 0.87 CTSL (0.60) ALDH1A1ALOX15CTSLCTSBCTSS
SCHEMBL8098616 0.87 CTSL (0.60) ALDH1A1ALOX15CTSLCTSBCTSS
SCHEMBL8699187 0.86 TACR1 (0.65) ALDH1A1ALOX15CTSLCTSBCTSS
SCHEMBL8785257 0.86 ALDH1A1 (0.74) ALDH1A1ALOX15CTSLCTSBCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3166933-B1 EPOXYKETONE COMPOUNDS FOR ENZYME INHIBITION CENTRAX INT INC (US) 2018-08-01 EP disclosed
EP-2867202-B1 METHOD FOR PRODUCING STEREOSELECTIVE EPOXYKETONE COMPOUND NISSAN CHEMICAL IND LTD (JP) 2017-08-09 EP disclosed
US-9657058-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2017-05-23 US disclosed
US-20160347792-A1 FLUORINATED EPOXYKETONE-BASED COMPOUNDS AND USES THEREOF AS PROTEASOME INHIBITORS TRILLIUM THERAPEUTICS INC. (CA) 2016-12-01 US disclosed
US-20160347792-A1 FLUORINATED EPOXYKETONE-BASED COMPOUNDS AND USES THEREOF AS PROTEASOME INHIBITORS TRILLIUM THERAPEUTICS INC. (CA) 2016-12-01 US disclosed
US-9441012-B2 Fluorinated epoxyketone-based compounds and uses thereof as proteasome inhibitors TRILLIUM THERAPEUTICS INC. (CA) 2016-09-13 US disclosed
US-9441012-B2 Fluorinated epoxyketone-based compounds and uses thereof as proteasome inhibitors TRILLIUM THERAPEUTICS INC. (CA) 2016-09-13 US disclosed
WO-2016011088-A2 EPOXYKETONE COMPOUNDS FOR ENZYME INHIBITION CENTRAX INTERNATIONAL, INC. (US) 2016-01-21 WO disclosed
US-20150353601-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS INC (US) 2015-12-10 US disclosed
US-9187442-B2 Method for producing stereoselective epoxyketone compound NISSAN CHEMICAL INDUSTIES, LTD. (JP) 2015-11-17 US disclosed
US-20130053303-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS, INC. (US) 2013-02-28 US disclosed
US-20130053303-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS, INC. (US) 2013-02-28 US disclosed
US-20130041008-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS, INC. (US) 2013-02-14 US disclosed
US-20130035297-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS, INC. (US) 2013-02-07 US disclosed
US-8357683-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2013-01-22 US disclosed
US-8357683-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2013-01-22 US disclosed
US-20120088762-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS, INC. (US) 2012-04-12 US disclosed
US-7691852-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2010-04-06 US disclosed
WO-2007149512-A2 PEPTIDE EPOXYKETONES FOR PR0TEAS0ME INHIBITION PROTEOLIX, INC. (US) 2007-12-27 WO disclosed
US-20070293465-A1 Compounds for enzyme inhibition PROTEOLIX, INC. (US) 2007-12-20 US 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 (7 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-20160347792-A1 FLUORINATED EPOXYKETONE-BASED COMPOUNDS AND USES THEREOF AS PROTEASOME INHIBITORS PSMB5, PSMB1, PSMB7 ALDH1A1 2049/4885ALOX15 947/4885CTSL 2486/4885
US-20130053303-A1 COMPOUNDS FOR ENZYME INHIBITION PSME1, PSMB1, PSME3 ALDH1A1 1307/4885ALOX15 1698/4885CTSL 724/4885
US-20120088762-A1 COMPOUNDS FOR ENZYME INHIBITION PSME1, PSMB1, PSME3 ALDH1A1 1307/4885ALOX15 1698/4885CTSL 724/4885
US-20150353601-A1 COMPOUNDS FOR ENZYME INHIBITION PSME1, PSMB1, PSME3 ALDH1A1 1307/4885ALOX15 1698/4885CTSL 724/4885
US-20130041008-A1 COMPOUNDS FOR ENZYME INHIBITION PSME1, PSMB1, PSME3 ALDH1A1 1307/4885ALOX15 1698/4885CTSL 724/4885
US-20070293465-A1 Compounds for enzyme inhibition PSME1, PSMB1, PSME3 ALDH1A1 1307/4885ALOX15 1698/4885CTSL 724/4885
US-20130035297-A1 COMPOUNDS FOR ENZYME INHIBITION PSME1, PSMB1, PSME3 ALDH1A1 1307/4885ALOX15 1698/4885CTSL 724/4885

“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.