SCHEMBL8098616

SCHEMBL8098616

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

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSL P07711 14/20 0.60
ALDH1A1 P00352 1/20 0.52
ALOX15 P16050 1/20 0.52
CTSK P43235 3/20 0.51
CTSB P07858 3/20 0.50
CASP1 P29466 2/20 0.50
CTSS P25774 1/20 0.50

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
SCHEMBL1701842 1.00 CTSL (0.60) CTSLALDH1A1ALOX15CTSKCTSB
SCHEMBL1709151 0.87 ALDH1A1 (0.64) CTSLALDH1A1ALOX15CTSKCTSB
SCHEMBL1701751 0.87 ALDH1A1 (0.64) CTSLALDH1A1ALOX15CTSKCTSB
SCHEMBL18257516 0.85 CTSK (0.67) CTSLCTSKCTSBCTSS
SCHEMBL8276390 0.85 CTSK (0.67) CTSLCTSKCTSBCTSS
SCHEMBL1796250 0.84 CTSL (0.65) CTSLCTSKCTSBCASP1CTSS
SCHEMBL2487005 0.84 CTSL (0.65) CTSLCTSKCTSBCASP1CTSS
SCHEMBL1701581 0.84 CTSL (0.65) CTSLCTSKCTSBCASP1CTSS
SCHEMBL6139194 0.83 CTSL (0.61) CTSLCTSKCTSBCASP1CTSS
SCHEMBL27616333 0.83 CTSL (0.61) CTSLCTSKCTSBCASP1CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9657058-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2017-05-23 US disclosed
US-20150353601-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS INC (US) 2015-12-10 US disclosed
US-8765745-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2014-07-01 US disclosed
US-8765745-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2014-07-01 US disclosed
US-8735441-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2014-05-27 US disclosed
US-20140080753-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS, INC. (US) 2014-03-20 US disclosed
US-20140080753-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS, INC. (US) 2014-03-20 US disclosed
US-8431571-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2013-04-30 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-7691852-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2010-04-06 US 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 (6 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-20130053303-A1 COMPOUNDS FOR ENZYME INHIBITION PSME1, PSMB1, PSME3 CTSL 724/4885ALDH1A1 1307/4885ALOX15 1698/4885
US-20150353601-A1 COMPOUNDS FOR ENZYME INHIBITION PSME1, PSMB1, PSME3 CTSL 724/4885ALDH1A1 1307/4885ALOX15 1698/4885
US-20140080753-A1 COMPOUNDS FOR ENZYME INHIBITION PSME1, PSMB1, PSME3 CTSL 724/4885ALDH1A1 1307/4885ALOX15 1698/4885
US-20130041008-A1 COMPOUNDS FOR ENZYME INHIBITION PSME1, PSMB1, PSME3 CTSL 724/4885ALDH1A1 1307/4885ALOX15 1698/4885
US-20070293465-A1 Compounds for enzyme inhibition PSME1, PSMB1, PSME3 CTSL 724/4885ALDH1A1 1307/4885ALOX15 1698/4885
US-20130035297-A1 COMPOUNDS FOR ENZYME INHIBITION PSME1, PSMB1, PSME3 CTSL 724/4885ALDH1A1 1307/4885ALOX15 1698/4885

“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.