SCHEMBL2632872

SCHEMBL2632872

O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.74
CA2 P00918 2/20 0.70
CA1 P00915 2/20 0.70
L3MBTL1 Q9Y468 2/20 0.67
CTSB P07858 2/20 0.67
CTSS P25774 2/20 0.67
CTSK P43235 2/20 0.67
ACE P12821 5/20 0.66
HPGDS O60760 2/20 0.64
MME P08473 3/20 0.62
CPA1 P15085 3/20 0.62
ACE2 Q9BYF1 3/20 0.62
MEN1 O00255 1/20 0.61
ALDH1A1 P00352 1/20 0.61
KMT2A Q03164 1/20 0.61
ITGB1 P05556 1/20 0.60
ITGA4 P13612 1/20 0.60
CA12 O43570 1/20 0.60
CA9 Q16790 1/20 0.60
CTSL P07711 1/20 0.60

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
SCHEMBL8196220 1.00 PTPN1 (0.74) PTPN1CA2CA1L3MBTL1CTSB
SCHEMBL10033681 0.94 PTPN1 (0.69) PTPN1CA2CA1L3MBTL1CTSB
SCHEMBL6857183 0.94 PTPN1 (0.69) PTPN1CA2CA1L3MBTL1CTSB
SCHEMBL111236 0.92 ACE (0.76) PTPN1CA2CA1L3MBTL1CTSS
SCHEMBL111235 0.92 ACE (0.76) PTPN1CA2CA1L3MBTL1CTSS
SCHEMBL528464 0.92 ACE (0.76) PTPN1CA2CA1L3MBTL1CTSS
SCHEMBL6513134 0.91 CA2 (0.68) PTPN1CA2CA1L3MBTL1CTSB
Hydrochloric Acid SCHEMBL10622640 0.90 ACE (0.74) PTPN1CA2CA1L3MBTL1CTSS
SCHEMBL28419447 0.90 ACE (0.74) PTPN1CA2CA1L3MBTL1CTSS
SCHEMBL28419446 0.90 ACE (0.74) PTPN1CA2CA1L3MBTL1CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4263826-A2 MEANS AND METHODS FOR DETOXIFYING OCHRATOXIN A DSM Austria GmbH (AT) 2023-10-25 EP disclosed
WO-2022129517-A2 MEANS AND METHODS FOR DETOXIFYING OCHRATOXIN A ERBER AKTIENGESELLSCHAFT (AT) 2022-06-23 WO disclosed
CN-114645037-A Means and methods for detoxification of ochratoxin A 艾尔柏股份公司 2022-06-21 CN disclosed
US-20120101026-A1 Compounds For Enzyme Inhibition ONYX THERAPEUTICS, INC. (US) 2012-04-26 US disclosed
US-20120101025-A1 Compounds For Enzyme Inhibition ONYX THERAPEUTICS, INC. (US) 2012-04-26 US disclosed
US-8088741-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2012-01-03 US disclosed
US-8088741-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2012-01-03 US disclosed
EP-2030981-A1 Compounds for proteasome enzyme inhibition Proteolix, Inc. (US) 2009-03-04 EP disclosed
US-20080090785-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) 2008-04-17 US disclosed
US-20080090785-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) 2008-04-17 US disclosed
WO-2005111008-A2 COMPOUNDS FOR ENZYME INHIBITION PROTEOLIX, INC. (US) 2005-11-24 WO 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 (3 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-20080090785-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, DNPEP, CPN1 PTPN1 871/4885CA2 4151/4885CA1 2202/4885
US-20120101026-A1 Compounds For Enzyme Inhibition ANPEP, DNPEP, CPN1 PTPN1 678/4885CA2 3451/4885CA1 1866/4885
US-20120101025-A1 Compounds For Enzyme Inhibition ANPEP, DNPEP, CPN1 PTPN1 678/4885CA2 3451/4885CA1 1866/4885

“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.