SCHEMBL4173530

SCHEMBL4173530

NCC(C(=O)N[C@H](Cc1c[nH]cn1)C(=O)O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 4/20 0.42
▸ MYLK4 Q86YV6 3/20 0.42
▸ ECE1 P42892 2/20 0.41
▸ MME P08473 4/20 0.39
▸ ACE2 Q9BYF1 1/20 0.39
▸ GLS O94925 1/20 0.38
▸ ROCK2 O75116 3/20 0.37

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
SCHEMBL10826450 0.88 MME (0.46) MMEACE2
SCHEMBL31734674 0.86 MME (0.41) MMEACE2
SCHEMBL8957080 0.85 CTSB (0.43) MMEACE2
SCHEMBL8957088 0.85 CTSB (0.43) MMEACE2
SCHEMBL31735189 0.82 CYP3A4 (0.35) —
SCHEMBL10826528 0.81 MME (0.52) MME
SCHEMBL9666897 0.80 CTSC (0.47) MME
SCHEMBL7277013 0.80 CTSC (0.47) MME
SCHEMBL9667566 0.80 CTSC (0.47) MME
SCHEMBL3881794 0.80 CTSC (0.47) MME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2041157-B1 PEPTIDE DERIVATIVES WITH THERAPEUTIC ACTIVITY FLAMMA SPA (IT) 2015-05-06 — — EP claimed
US-8765798-B2 Peptide derivatives with therapeutic activity FLAMMA S.P.A. (IT) 2014-07-01 — — US claimed
US-20090247601-A1 PEPTIDE DERIVATIVES WITH THERAPEUTIC ACTIVITY FLAMMA S.P.A. (IT) 2009-10-01 — — US claimed
EP-2041157-A1 PEPTIDE DERIVATIVES WITH THERAPEUTIC ACTIVITY Flamma S.P.A. (IT) 2009-04-01 — — EP claimed
WO-2008001174-A1 PEPTIDE DERIVATIVES WITH THERAPEUTIC ACTIVITY FLAMMA, S.P.A. (IT) 2008-01-03 — — WO claimed
EP-2041157-B1 PEPTIDE DERIVATIVES WITH THERAPEUTIC ACTIVITY FLAMMA SPA (IT) 2015-05-06 — — 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-20090247601-A1 PEPTIDE DERIVATIVES WITH THERAPEUTIC ACTIVITY IAPP, VIP, DNPEP ROCK1 3064/4885MYLK4 3158/4885ECE1 397/4885

“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.

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