SCHEMBL2632696

SCHEMBL2632696

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
ATM Q13315 1/20 0.45
TSHR P16473 3/20 0.42
HPGD P15428 1/20 0.42
HCAR2 Q8TDS4 1/20 0.40
NOD1 Q9Y239 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PDE4D Q08499 1/20 0.40
NAAA Q02083 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
P2RY10 O00398 4/20 0.38
GPR34 Q9UPC5 2/20 0.38

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 SCHEMBL7371309 1.00 ALDH1A1 (0.48) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL25886436 0.88 HCAR2 (0.36) ALDH1A1TSHRHPGDHCAR2NOD1
SCHEMBL14174568 0.86 ALDH1A1 (0.47) ALDH1A1ATMTSHRHPGDHCAR2
Hydrochloric Acid SCHEMBL3363507 0.86 ALDH1A1 (0.50) ALDH1A1ATMTSHRHPGDHCAR2
Hydrochloric Acid SCHEMBL216129 0.86 ALDH1A1 (0.50) ALDH1A1ATMTSHRHPGDHCAR2
Hydrochloric Acid SCHEMBL12478441 0.84 ALDH1A1 (0.48) ALDH1A1ATMTSHRHPGDHCAR2
Hydrochloric Acid SCHEMBL28713628 0.84 ALDH1A1 (0.48) ALDH1A1ATMTSHRHPGDHCAR2
Hydrochloric Acid SCHEMBL5487402 0.84 ALDH1A1 (0.48) ALDH1A1ATMTSHRHPGDHCAR2
Hydrochloric Acid SCHEMBL7374816 0.84 ALDH1A1 (0.41) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL2734881 0.83 ALDH1A1 (0.52) ALDH1A1ATMTSHRHPGDHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170260230-A1 COMPUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS INC (US) 2017-09-14 US disclosed
US-20170158734-A1 EPOXYKETONE COMPOUNDS FOR ENZYME INHIBITION CENTRAX INTERNATIONAL, INC. (US) 2017-06-08 US disclosed
EP-2813241-B1 Crystalline tripeptide epoxy ketone protease inhibitors ONYX THERAPEUTICS INC (US) 2016-11-16 EP 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
WO-2016011088-A2 EPOXYKETONE COMPOUNDS FOR ENZYME INHIBITION CENTRAX INTERNATIONAL, INC. (US) 2016-01-21 WO disclosed
US-9205125-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2015-12-08 US disclosed
US-9205126-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2015-12-08 US disclosed
US-20130130968-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS, INC. (US) 2013-05-23 US disclosed
EP-1948678-B1 Compounds for enzyme inhibition ONYX THERAPEUTICS INC (US) 2013-05-01 EP disclosed
US-20120101025-A1 Compounds For Enzyme Inhibition ONYX THERAPEUTICS, INC. (US) 2012-04-26 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
US-20100240903-A1 CRYSTALLINE TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. (US) 2010-09-23 US disclosed
WO-2010108172-A1 CRYSTALLINE TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. (US) 2010-09-23 WO 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
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

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

For each of this compound's patents that has machine-readable text (11 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 3041/4885ATM 4793/4885TSHR 3077/4885
US-20160213610-A1 MODIFIED RELEASE FORMULATIONS FOR OPROZOMIB OPRL1, OPRM1, OPRK1 ALDH1A1 3123/4885ATM 4246/4885TSHR 1863/4885
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 3650/4885ATM 4632/4885TSHR 2821/4885
US-20170260230-A1 COMPUNDS FOR ENZYME INHIBITION ANPEP, PSMB1, CPN1 ALDH1A1 3164/4885ATM 4834/4885TSHR 2901/4885
US-20120101025-A1 Compounds For Enzyme Inhibition ANPEP, DNPEP, CPN1 ALDH1A1 3059/4885ATM 4734/4885TSHR 2765/4885
US-20160083421-A1 COMPUNDS FOR ENZYME INHIBITION ANPEP, PSMB1, CPN1 ALDH1A1 3164/4885ATM 4834/4885TSHR 2901/4885
US-20170158734-A1 EPOXYKETONE COMPOUNDS FOR ENZYME INHIBITION PSMD10, PSMC1, PSMB10 ALDH1A1 1707/4885ATM 3065/4885TSHR 4650/4885
US-20090203698-A1 Compounds for Enzyme Inhibition ANPEP, HPN, DNPEP ALDH1A1 3041/4885ATM 4793/4885TSHR 3077/4885
US-20100240903-A1 CRYSTALLINE TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS PREP, CTSC, PEPD ALDH1A1 2956/4885ATM 4641/4885TSHR 3868/4885
US-20120077855-A1 CRYSTALLINE TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS CTSC, PEPD, PREP ALDH1A1 3205/4885ATM 4512/4885TSHR 3792/4885
US-20120088903-A1 CRYSTALLINE TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS PREP, CTSC, PEPD ALDH1A1 2956/4885ATM 4641/4885TSHR 3868/4885

“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.