SCHEMBL8252710

SCHEMBL8252710

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

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 8/20 0.38
▸ CDK4 P11802 1/20 0.37
▸ CCNA2 P20248 1/20 0.37
▸ CCND1 P24385 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CCNA1 P78396 1/20 0.37
▸ CTSD P07339 4/20 0.37
▸ GRB2 P62993 1/20 0.35
▸ ACE P12821 2/20 0.35
▸ CTSB P07858 3/20 0.35
▸ CTSK P43235 3/20 0.35

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
SCHEMBL13363654 0.84 ACE (0.49) RENGRB2ACE
SCHEMBL29641501 0.81 CTSD (0.44) RENCTSD
SCHEMBL10431112 0.81 REN (0.48) RENCTSDACE
SCHEMBL30684922 0.80 CTSD (0.44) RENCTSDCTSBCTSK
SCHEMBL16359592 0.77 ACE (0.39) GRB2ACE
SCHEMBL30799828 0.77 ENPEP (0.40) RENCTSDGRB2ACE
SCHEMBL31318666 0.77 ENPEP (0.41) ACE
SCHEMBL30434077 0.77 CTSD (0.42) RENCCNA2CDK2CCNA1CTSD
SCHEMBL11012174 0.77 ACE (0.43) RENCDK4CCNA2CCND1CDK2
SCHEMBL30684916 0.76 LNPEP (0.42) ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7927581-B2 For magnetic resonance imaging (MRI); peptide modified at its N- and its C-termini, independently, with a moiety comprising a metal chelate complex; specific binding affinity for fibrin; sufficient half-life in vivo Factor 1A, LLC (US) 2011-04-19 — — US disclosed
US-7927581-B2 For magnetic resonance imaging (MRI); peptide modified at its N- and its C-termini, independently, with a moiety comprising a metal chelate complex; specific binding affinity for fibrin; sufficient half-life in vivo Factor 1A, LLC (US) 2011-04-19 — — US disclosed
US-20060039861-A1 Peptide-based multimeric targeted contrast agents EPIX MEDICAL, INC., A DELAWARE CORPORATION 2006-02-23 — — US disclosed
US-20060039861-A1 Peptide-based multimeric targeted contrast agents EPIX MEDICAL, INC., A DELAWARE CORPORATION 2006-02-23 — — US 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-20060039861-A1 Peptide-based multimeric targeted contrast agents NGLY1, IAPP, NPPA REN 1854/4885CDK4 4125/4885CCNA2 3665/4885

“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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