SCHEMBL1708896

SCHEMBL1708896

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.55
TDP1 Q9NUW8 3/20 0.49
MAPK1 P28482 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HCAR2 Q8TDS4 1/20 0.45
ATM Q13315 1/20 0.44
CTSB P07858 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA3 P07451 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 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
SCHEMBL8929852 1.00 ALDH1A1 (0.55) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL25640234 1.00 ALDH1A1 (0.55) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL27275066 0.87 ALDH1A1 (0.51) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL21246536 0.86 ALDH1A1 (0.55) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL18820117 0.83 ALDH1A1 (0.51) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL27293680 0.83 POLB (0.51) ALDH1A1KMT2A
SCHEMBL23139036 0.83 ALDH1A1 (0.55) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL29115740 0.83 ALDH1A1 (0.55) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL29006983 0.83 TSHR (0.58) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL265176 0.82 ALDH1A1 (0.58) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180161279-A1 GASTRO-RETENTIVE MODIFIED RELEASE DOSAGE FORMS FOR OPROZOMIB AND PROCESS TO MAKE THEREOF AMGEN INC. 2018-06-14 US disclosed
US-20180078532-A1 IMMEDIATE RELEASE FORMULATIONS FOR OPROZOMIB AMGEN INC. (US) 2018-03-22 US disclosed
US-9403868-B2 Crystalline tripeptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2016-08-02 US disclosed
US-20160213610-A1 MODIFIED RELEASE FORMULATIONS FOR OPROZOMIB ONYX THERAPEUTICS, INC. 2016-07-28 US disclosed
US-9295708-B2 Modified release formulations for oprozomib ONYX THERAPEUTICS, INC. (US) 2016-03-29 US disclosed
US-20160083421-A1 COMPUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS INC (US) 2016-03-24 US disclosed
US-9205126-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2015-12-08 US disclosed
US-9205125-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2015-12-08 US disclosed
US-9205124-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2015-12-08 US disclosed
US-20150175656-A1 CRYSTALLINE TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS INC (US) 2015-06-25 US disclosed
US-9051353-B2 Crystalline tripeptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2015-06-09 US disclosed
US-8822512-B2 Crystalline tripeptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2014-09-02 US disclosed
US-20140113855-A1 Modified Release Formulations for Oprozomib ONYX THERAPEUTICS, INC. 2014-04-24 US disclosed
US-20140050737-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS, INC. (US) 2014-02-20 US disclosed
US-20140031297-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS, INC. (US) 2014-01-30 US disclosed
US-20140024804-A1 Crystalline Tripeptide Epoxy Ketone Protease Inhibitors ONYX THERAPEUTICS, INC. (US) 2014-01-23 US disclosed
US-20130130968-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS, INC. (US) 2013-05-23 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 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-20130130968-A1 COMPOUNDS FOR ENZYME INHIBITION ANPEP, HPN, DNPEP ALDH1A1 3041/4885TDP1 1396/4885MAPK1 2644/4885
US-20180078532-A1 IMMEDIATE RELEASE FORMULATIONS FOR OPROZOMIB OPRL1, OPRK1, OPRM1 ALDH1A1 2790/4885TDP1 3397/4885MAPK1 3300/4885
US-20160213610-A1 MODIFIED RELEASE FORMULATIONS FOR OPROZOMIB OPRL1, OPRM1, OPRK1 ALDH1A1 3123/4885TDP1 2628/4885MAPK1 3900/4885
US-20140113855-A1 Modified Release Formulations for Oprozomib OPRL1, OPRM1, OPRK1 ALDH1A1 3123/4885TDP1 2628/4885MAPK1 3900/4885
US-20180161279-A1 GASTRO-RETENTIVE MODIFIED RELEASE DOSAGE FORMS FOR OPROZOMIB AND PROCESS TO MAKE THEREOF GIPR, OPRL1, MLNR ALDH1A1 3729/4885TDP1 4689/4885MAPK1 3223/4885
US-20140050737-A1 COMPOUNDS FOR ENZYME INHIBITION ANPEP, HPN, DNPEP ALDH1A1 3041/4885TDP1 1396/4885MAPK1 2644/4885
US-20140031297-A1 COMPOUNDS FOR ENZYME INHIBITION ANPEP, HPN, DNPEP ALDH1A1 3041/4885TDP1 1396/4885MAPK1 2644/4885
US-20160083421-A1 COMPUNDS FOR ENZYME INHIBITION ANPEP, PSMB1, CPN1 ALDH1A1 3164/4885TDP1 1721/4885MAPK1 3268/4885
US-20140024804-A1 Crystalline Tripeptide Epoxy Ketone Protease Inhibitors PREP, CTSC, PEPD ALDH1A1 2956/4885TDP1 1575/4885MAPK1 3821/4885
US-20150175656-A1 CRYSTALLINE TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS PREP, CTSC, PEPD ALDH1A1 2956/4885TDP1 1575/4885MAPK1 3821/4885
US-20120077855-A1 CRYSTALLINE TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS CTSC, PEPD, PREP ALDH1A1 3205/4885TDP1 885/4885MAPK1 4042/4885
US-20120088903-A1 CRYSTALLINE TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS PREP, CTSC, PEPD ALDH1A1 2956/4885TDP1 1575/4885MAPK1 3821/4885

“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.