SCHEMBL334599

SCHEMBL334599

CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)CNC(=O)/C=C/c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.48
CAPN2 P17655 1/20 0.48
NPY4R P50391 5/20 0.48
NPY1R P25929 2/20 0.48
PSMB1 P20618 2/20 0.47
PSMB5 P28074 1/20 0.47
PSMB2 P49721 1/20 0.47
CTSL P07711 3/20 0.47
CTSK P43235 5/20 0.47
SIRT5 Q9NXA8 1/20 0.47
CTSS P25774 2/20 0.47
CTSB P07858 1/20 0.47

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
SCHEMBL334030 0.94 PSMB1 (0.53) CAPN1CAPN2NPY4RNPY1RPSMB1
SCHEMBL13155521 0.94 PSMB1 (0.53) CAPN1CAPN2NPY4RNPY1RPSMB1
SCHEMBL334024 0.93 PSMB1 (0.49) CAPN1CAPN2NPY4RNPY1RPSMB1
SCHEMBL334371 0.93 PSMB1 (0.49) CAPN1CAPN2NPY4RNPY1RPSMB1
SCHEMBL6034886 0.93 PSMB1 (0.49) CAPN1CAPN2NPY4RNPY1RPSMB1
SCHEMBL334449 0.93 PSMB1 (0.49) CAPN1CAPN2NPY4RNPY1RPSMB1
SCHEMBL4451480 0.93 PSMB1 (0.49) CAPN1CAPN2NPY4RNPY1RPSMB1
SCHEMBL334686 0.93 PSMB1 (0.49) CAPN1CAPN2NPY4RNPY1RPSMB1
SCHEMBL333906 0.92 CTSK (0.54) CAPN1CAPN2NPY4RNPY1RCTSL
SCHEMBL334631 0.92 CTSL (0.55) CAPN1CAPN2NPY4RNPY1RPSMB1

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
US-8097582-B2 Peptide derivatives useful as antimicrobial agents and for treating wounds NEOBIOTICS AB (SE) 2012-01-17 US disclosed
US-8097582-B2 Peptide derivatives useful as antimicrobial agents and for treating wounds NEOBIOTICS AB (SE) 2012-01-17 US disclosed
US-8097582-B2 Peptide derivatives useful as antimicrobial agents and for treating wounds NEOBIOTICS AB (SE) 2012-01-17 US disclosed
US-20090118198-A1 NOVEL PEPTIDE DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS FOR TREATING WOUNDS ZULA DIAGNOSTICS AB (SE) 2009-05-07 US disclosed
US-20090118198-A1 NOVEL PEPTIDE DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS FOR TREATING WOUNDS ZULA DIAGNOSTICS AB (SE) 2009-05-07 US disclosed
US-20090118198-A1 NOVEL PEPTIDE DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS FOR TREATING WOUNDS ZULA DIAGNOSTICS AB (SE) 2009-05-07 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-20090118198-A1 NOVEL PEPTIDE DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS FOR TREATING WOUNDS VIP, NGLY1, ARG1 CAPN1 1451/4885CAPN2 2695/4885NPY4R 488/4885

“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.