SCHEMBL5777591

SCHEMBL5777591

CC(C)(C)OC(=O)N[C@@H](Cc1ccc2c(c1)CCCN2)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.50
ITGAV P06756 3/20 0.49
ITGB6 P18564 2/20 0.49
PTPN1 P18031 3/20 0.48
ITGB3 P05106 2/20 0.48
ITGA2B P08514 2/20 0.48
CTSS P25774 5/20 0.44
CTSK P43235 5/20 0.44
CTSB P07858 2/20 0.44
PPARA Q07869 4/20 0.43
PPARG P37231 3/20 0.43
ITGB1 P05556 1/20 0.43
ITGB5 P18084 1/20 0.43
PPARD Q03181 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
ITGA4 P13612 1/20 0.42
ITGB7 P26010 1/20 0.42

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
SCHEMBL5781322 0.91 KLK5 (0.46) ACEITGAVITGB6PTPN1CTSS
SCHEMBL5781320 0.91 KLK5 (0.46) ACEITGAVITGB6PTPN1CTSS
SCHEMBL9743083 0.86 ACE (0.57) ACEITGAVPTPN1ITGB3ITGA2B
SCHEMBL9743071 0.86 ACE (0.57) ACEITGAVPTPN1ITGB3ITGA2B
SCHEMBL5781496 0.85 KDM4E (0.48) ITGAVITGB3ITGA2BPPARAPPARG
SCHEMBL4068384 0.84 KLK5 (0.48) ACEPTPN1CTSSCTSKCTSB
SCHEMBL18262463 0.77 ACE (0.52) ACEITGAVPTPN1ITGB3ITGA2B
SCHEMBL18262461 0.77 ACE (0.52) ACEITGAVPTPN1ITGB3ITGA2B
SCHEMBL5782289 0.76 PPARG (0.49) PPARAPPARGPPARDKDM4EMAPT
SCHEMBL5782284 0.76 PPARG (0.49) PPARAPPARGPPARDKDM4EMAPT

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
EP-3327027-B9 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF PFIZER (US) 2021-07-07 EP disclosed
EP-3327027-B1 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF PFIZER (US) 2021-01-06 EP disclosed
EP-3327027-A1 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF Pfizer Inc (US) 2018-05-30 EP disclosed
EP-2780039-B9 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF PFIZER (US) 2018-04-18 EP disclosed
EP-2780039-B1 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF PFIZER (US) 2017-11-29 EP disclosed
US-9249186-B2 Cytotoxic peptides and antibody drug conjugates thereof PFIZER INC. (US) 2016-02-02 US disclosed
US-20150307551-A1 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF PFIZER INC. 2015-10-29 US disclosed
US-9138486-B2 Cytotoxic peptides and antibody drug conjugates thereof PFIZER INC. (US) 2015-09-22 US disclosed
US-20140363452-A1 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF PFIZER INC. 2014-12-11 US disclosed
US-8828401-B2 Cytotoxic peptides and antibody drug conjugates thereof PFIZER INC. (US) 2014-09-09 US disclosed
US-20130129753-A1 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF PFIZER INC. (US) 2013-05-23 US disclosed
EP-1114028-B1 AZA-BICYCLES WHICH MODULATE THE INHIBITION OF CELL ADHESION AVENTIS PHARMA LTD (GB) 2006-11-29 EP disclosed
US-6608084-B1 Treatment of human or non-human animal patient suffering from, or subject to, condition which can be ameliorated by administration of inhibitor of alpha 4 beta 1 mediated cell adhesion AVENTIS PHARMA LTD. (GB) 2003-08-19 US disclosed
EP-1114028-A1 AZA-BICYCLES WHICH MODULATE THE INHIBITION OF CELL ADHESION Aventis Pharma Limited (GB) 2001-07-11 EP disclosed
WO-2000015612-A1 AZA-BICYCLES WHICH MODULATE THE INHIBITION OF CELL ADHESION AVENTIS PHARMA LIMITED (GB) 2000-03-23 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 (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-20150307551-A1 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF NGLY1, CD47, CD81 ACE 2943/4885ITGAV 248/4885ITGB6 579/4885
US-20140363452-A1 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF NGLY1, CD47, CD81 ACE 2943/4885ITGAV 248/4885ITGB6 579/4885
US-20130129753-A1 CYTOTOXIC PEPTIDES AND ANTIBODY DRUG CONJUGATES THEREOF NGLY1, CD47, CD81 ACE 2943/4885ITGAV 248/4885ITGB6 579/4885

“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.