SCHEMBL2018447

SCHEMBL2018447

CC(C)(C)OC(=O)COc1ccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.53
ITGB3 P05106 4/20 0.49
ITGA2B P08514 4/20 0.49
HDAC8 Q9BY41 1/20 0.48
MDM4 O15151 2/20 0.47
TP53 P04637 2/20 0.47
MDM2 Q00987 2/20 0.46
ACE P12821 1/20 0.45

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
SCHEMBL30002475 1.00 PTPN1 (0.53) PTPN1ITGB3ITGA2BHDAC8MDM4
SCHEMBL31369370 1.00 PTPN1 (0.53) PTPN1ITGB3ITGA2BHDAC8MDM4
SCHEMBL25266952 1.00 PTPN1 (0.53) PTPN1ITGB3ITGA2BHDAC8MDM4
SCHEMBL25356353 0.90 ITGB1 (0.47) PTPN1MDM4TP53MDM2ACE
SCHEMBL25356275 0.90 ITGB1 (0.47) PTPN1MDM4TP53MDM2ACE
SCHEMBL31688800 0.90 PTPN1 (0.51) PTPN1MDM4TP53MDM2ACE
SCHEMBL25356269 0.90 ITGB1 (0.47) PTPN1MDM4TP53MDM2ACE
SCHEMBL31210311 0.90 ITGB1 (0.47) PTPN1MDM4TP53MDM2ACE
SCHEMBL26167000 0.89 PTPN1 (0.46) PTPN1HDAC8
SCHEMBL31369575 0.89 MDM4 (0.50) PTPN1MDM4TP53MDM2ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9345789-B2 Specific inhibitors and active site probes for legumain THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2016-05-24 US claimed
US-20120251459-A1 SPECIFIC INHIBITORS AND ACTIVE SITE PROBES FOR LEGUMAIN THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2012-10-04 US claimed
WO-2011075678-A1 SPECIFIC INHIBITORS AND ACTIVE SITE PROBES FOR LEGUMAIN THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2011-06-23 WO claimed
US-20260070945-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY 2026-03-12 US disclosed
US-20260022142-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2026-01-22 US disclosed
US-12509502-B2 Hybrid immunoglobulin containing nonpeptidyl linkage BIOMOLECULAR HOLDINGS LLC (US) 2025-12-30 US disclosed
US-20250296915-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2025-09-25 US disclosed
US-20250250299-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY 2025-08-07 US disclosed
US-20250163104-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2025-05-22 US disclosed
EP-4526323-A1 MACROCYCLIC IMMUNOMODULATORS Bristol-Myers Squibb Company (US) 2025-03-26 EP disclosed
EP-4499667-A1 MACROCYCLIC IMMUNOMODULATORS Bristol-Myers Squibb Company (US) 2025-02-05 EP disclosed
EP-2968495-B1 HYBRID IMMUNOGLOBULIN CONTAINING NON-PEPTIDYL LINKAGE CAPON DANIEL J (US) 2019-07-03 EP disclosed
CN-106456574-A Hybrid immunoglobulins containing non-peptide linkages 丹尼尔·J·卡鹏 2017-02-22 CN disclosed
US-20170008950-A1 HYBRID IMMUNOGLOBULIN CONTAINING NON-PEPTIDYL LINKAGE BIOMOLECULAR HOLDINGS LLC 2017-01-12 US disclosed
US-9345789-B2 Specific inhibitors and active site probes for legumain THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2016-05-24 US disclosed
US-20160024226-A1 HYBRID IMMUNOGLOBULIN CONTAINING NON-PEPTIDYL LINKAGE BIOMOLECULAR HOLDINGS LLC 2016-01-28 US disclosed
EP-2968495-A2 HYBRID IMMUNOGLOBULIN CONTAINING NON-PEPTIDYL LINKAGE Capon, Daniel J. (US) 2016-01-20 EP disclosed
WO-2014144911-A2 HYBRID IMMUNOGLOBULIN CONTAINING NON-PEPTIDYL LINKAGE CAPON DANIEL J (US) 2014-09-18 WO disclosed
US-20120251459-A1 SPECIFIC INHIBITORS AND ACTIVE SITE PROBES FOR LEGUMAIN THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2012-10-04 US disclosed
WO-2011075678-A1 SPECIFIC INHIBITORS AND ACTIVE SITE PROBES FOR LEGUMAIN THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2011-06-23 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 (9 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-20250163104-A1 MACROCYCLIC IMMUNOMODULATORS CD274, PDCD1LG2, PDCD1 PTPN1 340/4885ITGB3 3636/4885ITGA2B 3216/4885
US-20250296915-A1 NOVEL AMINO ACID DERIVATIVES DNPEP, BCAT1, ANPEP PTPN1 4445/4885ITGB3 3500/4885ITGA2B 2865/4885
US-20260022142-A1 MACROCYCLIC IMMUNOMODULATORS CD274, PDCD1LG2, PDCD1 PTPN1 236/4885ITGB3 1361/4885ITGA2B 2376/4885
US-20260070945-A1 MACROCYCLIC IMMUNOMODULATORS CD274, PDCD1, PDCD1LG2 PTPN1 144/4885ITGB3 1851/4885ITGA2B 3083/4885
US-20250250299-A1 MACROCYCLIC IMMUNOMODULATORS CD274, PDCD1LG2, PDCD1 PTPN1 237/4885ITGB3 3655/4885ITGA2B 3347/4885
US-20160024226-A1 HYBRID IMMUNOGLOBULIN CONTAINING NON-PEPTIDYL LINKAGE FCGR3B, FCGR2A, VSIG8 PTPN1 92/4885ITGB3 2402/4885ITGA2B 2689/4885
US-20120251459-A1 SPECIFIC INHIBITORS AND ACTIVE SITE PROBES FOR LEGUMAIN ENGASE, LGMN, DNPEP PTPN1 4121/4885ITGB3 2849/4885ITGA2B 3622/4885
US-20170008950-A1 HYBRID IMMUNOGLOBULIN CONTAINING NON-PEPTIDYL LINKAGE FCGR3B, SCLY, FCGR2A PTPN1 254/4885ITGB3 1859/4885ITGA2B 2155/4885
US-12509502-B2 Hybrid immunoglobulin containing nonpeptidyl linkage FCGR2A, FCGR3B, CD74 PTPN1 737/4885ITGB3 1306/4885ITGA2B 1745/4885

“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.