SCHEMBL7163147

SCHEMBL7163147

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 14/20 0.42
BACE2 Q9Y5Z0 2/20 0.41
ERAP2 Q6P179 2/20 0.39
CTSD P07339 3/20 0.39
CTSB P07858 1/20 0.38
IL1RN P18510 1/20 0.38
ERAP1 Q9NZ08 1/20 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
SCHEMBL7163139 1.00 BACE1 (0.42) BACE1BACE2ERAP2CTSDCTSB
SCHEMBL3863461 0.91 BACE1 (0.46) BACE1BACE2CTSDCTSB
SCHEMBL3863451 0.91 BACE1 (0.46) BACE1BACE2CTSDCTSB
SCHEMBL7838077 0.91 BACE1 (0.46) BACE1BACE2CTSDCTSB
SCHEMBL7838083 0.91 BACE1 (0.46) BACE1BACE2CTSDCTSB
SCHEMBL30658572 0.90 ERAP2 (0.40) BACE1ERAP2IL1RNERAP1
SCHEMBL29532207 0.90 MME (0.41)
SCHEMBL31471617 0.89 BACE1 (0.45) BACE1BACE2CTSD
SCHEMBL21148859 0.89 ERAP2 (0.40) BACE1BACE2ERAP2IL1RNERAP1
SCHEMBL20397445 0.89 FNTA (0.37) BACE1CTSD

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
EP-0506628-B1 Aminoacyl and oligopeptidyl derivatives of allopurinol exhibiting immunostimulatory activity, and pharmaceutical formulations containing these substances SIGMA TAU IND FARMACEUTI (IT) 1996-09-18 EP claimed
EP-0506628-A2 Aminoacyl and oligopeptidyl derivatives of allopurinol exhibiting immunostimulatory activity, and pharmaceutical formulations containing these substances Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1992-09-30 EP claimed
EP-0464009-A2 Oligopeptide derivatives of ipoxantine endowed with immunomodulating activity and pharmaceutical compositions containing same Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1992-01-02 EP claimed
US-20030186998-A1 Methods for treatment of disorders of cardiac contractility JOHN HOPKINS UNIVERSITY 2003-10-02 US disclosed
US-6569862-B1 Adminstering xanthine oxidase inhibitor such as allopurinol JOHNS HOPKINS UNIVERSITY 2003-05-27 US disclosed
EP-1044002-A4 METHODS FOR TREATMENT OF DISORDERS OF CARDIAC CONTRACTILITY UNIV JOHNS HOPKINS (US) 2003-05-02 EP disclosed
US-6191136-B1 ADMINISTERING XANTHINE OXIDASE INHIBITOR JOHNS HOPKINS UNIVERSITY 2001-02-20 US disclosed
EP-1044002-A1 METHODS FOR TREATMENT OF DISORDERS OF CARDIAC CONTRACTILITY JOHNS HOPKINS UNIVERSITY (US) 2000-10-18 EP disclosed
WO-1999024038-A1 METHODS FOR TREATMENT OF DISORDERS OF CARDIAC CONTRACTILITY JOHNS HOPKINS UNIVERSITY (US) 1999-05-20 WO disclosed
EP-0506628-B1 Aminoacyl and oligopeptidyl derivatives of allopurinol exhibiting immunostimulatory activity, and pharmaceutical formulations containing these substances SIGMA TAU IND FARMACEUTI (IT) 1996-09-18 EP disclosed
US-5298621-A Peptides endcapped with purine derivative SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 1994-03-29 US disclosed
US-5298621-A Peptides endcapped with purine derivative SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 1994-03-29 US disclosed
US-5272151-A Aminoacyl and oligopeptidyl derivatives of allopurinol exhibiting immunostimulatory activity, and pharmaceutical formulations containing these substances SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 1993-12-21 US disclosed
US-5272151-A Aminoacyl and oligopeptidyl derivatives of allopurinol exhibiting immunostimulatory activity, and pharmaceutical formulations containing these substances SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 1993-12-21 US disclosed
EP-0506628-A3 AMINOACYL AND OLIGOPEPTIDYL DERIVATIVES OF ALLOPURINOL EXHIBITING IMMUNOSTIMULATORY ACTIVITY, AND PHARMACEUTICAL FORMULATIONS CONTAINING THESE SUBSTANCES Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1992-10-21 EP disclosed
EP-0506628-A2 Aminoacyl and oligopeptidyl derivatives of allopurinol exhibiting immunostimulatory activity, and pharmaceutical formulations containing these substances Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1992-09-30 EP disclosed
EP-0506628-A2 Aminoacyl and oligopeptidyl derivatives of allopurinol exhibiting immunostimulatory activity, and pharmaceutical formulations containing these substances Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1992-09-30 EP disclosed
EP-0464009-A2 Oligopeptide derivatives of ipoxantine endowed with immunomodulating activity and pharmaceutical compositions containing same Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1992-01-02 EP disclosed
EP-0464009-A2 Oligopeptide derivatives of ipoxantine endowed with immunomodulating activity and pharmaceutical compositions containing same Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1992-01-02 EP 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 (1 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-20030186998-A1 Methods for treatment of disorders of cardiac contractility TNNI3, TNNT2, RYR2 BACE1 3533/4885BACE2 3392/4885ERAP2 681/4885

“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.