SCHEMBL10027646

SCHEMBL10027646

CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)OCc1ccccc1)C(=O)N[C@H](CNC(=O)C#Cc1ccccc1)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSMB1 P20618 2/20 0.50
CTSK P43235 7/20 0.49
CTSB P07858 3/20 0.49
CTSS P25774 2/20 0.49
CTSL P07711 1/20 0.49
CAPN1 P07384 1/20 0.48
CAPN2 P17655 1/20 0.48
NPY4R P50391 5/20 0.48
NPY1R P25929 3/20 0.48
PSMB5 P28074 1/20 0.47
PSMB2 P49721 1/20 0.47
SIRT5 Q9NXA8 1/20 0.47
NPY2R P49146 2/20 0.46
NPY5R Q15761 2/20 0.46

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
SCHEMBL335148 0.88 CAPN1 (0.52) PSMB1CTSKCTSBCTSSCTSL
SCHEMBL334368 0.87 PSMB1 (0.53) PSMB1CTSKCTSLCAPN1CAPN2
SCHEMBL334717 0.87 PSMB1 (0.53) PSMB1CTSKCTSLCAPN1CAPN2
SCHEMBL10027648 0.87 CAPN1 (0.55) PSMB1CTSKCTSBCTSSCTSL
SCHEMBL10027649 0.86 CAPN1 (0.56) PSMB1CTSKCTSBCTSLCAPN1
SCHEMBL335508 0.86 NPY4R (0.51) PSMB1CTSKCTSLCAPN1CAPN2
SCHEMBL334649 0.86 NPY4R (0.51) PSMB1CTSKCTSLCAPN1CAPN2
SCHEMBL334603 0.86 NPY4R (0.54) PSMB1CAPN1CAPN2NPY4RNPY1R
SCHEMBL334016 0.86 PSMB1 (0.49) PSMB1CTSKCTSBCTSSCTSL
SCHEMBL334080 0.86 NPY4R (0.54) PSMB1CAPN1CAPN2NPY4RNPY1R

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-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

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 PSMB1 1943/4885CTSK 1298/4885CTSB 513/4885

“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.