SCHEMBL1133733

SCHEMBL1133733

NCCCC[C@@H]([C]=O)N[C@@H](CCc1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.53
MME P08473 1/20 0.50
LNPEP Q9UIQ6 2/20 0.46
ERAP2 Q6P179 1/20 0.46
ERAP1 Q9NZ08 1/20 0.46
CPB2 Q96IY4 2/20 0.44
MMP2 P08253 2/20 0.43
MMP9 P14780 1/20 0.43
F2 P00734 1/20 0.43
PLG P00747 1/20 0.43
PLAT P00750 1/20 0.43
CPA1 P15085 1/20 0.42
CPA2 P48052 1/20 0.42
CPA4 Q9UI42 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
ANPEP P15144 1/20 0.42
MAOA P21397 1/20 0.41

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
SCHEMBL11113260 1.00 ACE (0.53) ACEMMELNPEPERAP2ERAP1
SCHEMBL4428771 0.87 ACE (0.51) ACELNPEPERAP2ERAP1ANPEP
SCHEMBL661267 0.86 ACE (0.65) ACEMMELNPEPERAP2ERAP1
SCHEMBL5870137 0.86 ACE (0.65) ACEMMELNPEPERAP2ERAP1
SCHEMBL7267746 0.86 ACE (0.65) ACEMMELNPEPERAP2ERAP1
SCHEMBL7276530 0.84 CTSC (0.53) ACEMMELNPEPERAP2ERAP1
SCHEMBL7268746 0.84 CTSC (0.53) ACEMMELNPEPERAP2ERAP1
SCHEMBL6064942 0.83 ANPEP (0.42) ACELNPEPERAP2ERAP1CPB2
SCHEMBL6064398 0.80 ACE (0.70) ACEMMELNPEPERAP2ERAP1
Lysine SCHEMBL6420000 0.79 ACE (0.50) ACEMMELNPEPERAP2ERAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2205639-B1 ANTI-PCSK9 AND METHODS FOR TREATING LIPID AND CHOLESTEROL DISORDERS MERCK SHARP & DOHME (US) 2015-12-23 EP disclosed
US-20140161798-A1 ANTI-PCSK9 AND METHODS FOR TREATING LIPID AND CHOLESTEROL DISORDERS MERCK SHARP & DOHME CORP. (US) 2014-06-12 US disclosed
WO-2012054438-A1 ANTI-PCSK9 SCHERING CORPORATION (US) 2012-04-26 WO disclosed
EP-2285399-A2 EGF-A DOMAIN-MEDIATED MODULATION OF PCSK9 FOR TREATING LIPID DISORDERS Schering Corporation (US) 2011-02-23 EP disclosed
WO-2009143367-A2 EGF-A DOMAIN-MEDIATED MODULATION OF PCSK9 SCHERING CORPORATION (US) 2009-11-26 WO disclosed
EP-1385548-B1 COMBINATIONS OF STEROL ABSORPTION INHIBITOR(S) WITH CARDIOVASCULAR AGENT(S) FOR THE TREATMENT OF VASCULAR CONDITIONS SCHERING CORP (US) 2007-05-23 EP disclosed
EP-1541175-A2 Combinations of sterol absorption inhibitor(s) with cardiovascular agent(s) for the treatment of vascular conditions Schering Corporation (US) 2005-06-15 EP disclosed
EP-1385548-A2 COMBINATIONS OF STEROL ABSORPTION INHIBITOR(S) WITH CARDIOVASCULAR AGENT(S) FOR THE TREATMENT OF VASCULAR CONDITIONS Schering Corporation (US) 2004-02-04 EP disclosed
US-20030069221-A1 Combinations of sterol absorption inhibitor(s) with cardiovascular agent(s) for the treatment of vascular conditions SCHERING CORPORATION 2003-04-10 US disclosed
WO-2002058731-A2 COMBINATIONS OF STEROL ABSORPTION INHIBITOR(S) WITH CARDIOVASCULAR AGENT(S) FOR THE TREATMENT OF VASCULAR CONDITIONS SCHERING CORPORATION (US) 2002-08-01 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 (2 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-20030069221-A1 Combinations of sterol absorption inhibitor(s) with cardiovascular agent(s) for the treatment of vascular conditions CYP46A1, FABP2, SREBF1 ACE 357/4885MME 978/4885LNPEP 3414/4885
US-20140161798-A1 ANTI-PCSK9 AND METHODS FOR TREATING LIPID AND CHOLESTEROL DISORDERS PCSK9, PCSK7, CETP ACE 126/4885MME 125/4885LNPEP 84/4885

“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.