SCHEMBL2928061

SCHEMBL2928061

CC(C)C[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)NC(Cc1cccc(O)c1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 2/20 0.67
CTSK P43235 7/20 0.64
CTSL P07711 8/20 0.62
CTSS P25774 3/20 0.62
CTSB P07858 6/20 0.60

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
SCHEMBL27809377 0.91 CAPN1 (0.78) CAPN1CTSKCTSLCTSSCTSB
SCHEMBL7327426 0.91 CAPN1 (0.78) CAPN1CTSKCTSLCTSSCTSB
SCHEMBL9828791 0.91 CAPN1 (0.78) CAPN1CTSKCTSLCTSSCTSB
SCHEMBL14148469 0.89 CAPN1 (0.72) CAPN1CTSKCTSLCTSSCTSB
SCHEMBL6482122 0.89 CAPN1 (0.72) CAPN1CTSKCTSLCTSSCTSB
SCHEMBL6276287 0.89 CAPN1 (0.72) CAPN1CTSKCTSLCTSSCTSB
SCHEMBL9825830 0.89 TYR (0.58) CTSKCTSLCTSSCTSB
SCHEMBL5288135 0.89 TYR (0.58) CTSKCTSLCTSSCTSB
SCHEMBL2256235 0.88 CAPN1 (0.74) CAPN1CTSKCTSLCTSSCTSB
Carbon Dioxide SCHEMBL2245710 0.88 CAPN1 (0.74) CAPN1CTSKCTSLCTSSCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004670-B1 PROCESS FOR THE MANUFACTURE OF LYSOBACTIN DERIVATIVES AICURIS GMBH & CO KG (DE) 2010-01-27 EP disclosed
US-20090163696-A1 METHOD FOR PREPARING LYSOBACTIN DERIVATIVES BAYER HEALTHCARE AG (DE) 2009-06-25 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-20090163696-A1 METHOD FOR PREPARING LYSOBACTIN DERIVATIVES DLST, VIP, HAMP CAPN1 1494/4885CTSK 571/4885CTSL 142/4885

“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.