SCHEMBL5050481

SCHEMBL5050481

CC(C)(C)OC[C@@H](NC(=O)OCc1ccccc1)C(=O)NC1(C(=O)O)CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 11/20 0.52
▸ CTSS P25774 5/20 0.52
▸ CTSL P07711 5/20 0.52
▸ CTSB P07858 3/20 0.48
▸ TACR1 P25103 1/20 0.44

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
SCHEMBL3827103 0.92 CTSK (0.50) CTSKCTSSCTSLCTSBTACR1
SCHEMBL3819501 0.81 CTSK (0.64) CTSKCTSSCTSLCTSB
SCHEMBL31276793 0.81 CTSK (0.64) CTSKCTSSCTSLCTSB
SCHEMBL29401640 0.80 CTSK (0.63) CTSKCTSSCTSLCTSB
SCHEMBL344382 0.80 CTSK (0.63) CTSKCTSSCTSLCTSB
SCHEMBL344381 0.80 CTSK (0.63) CTSKCTSSCTSLCTSB
SCHEMBL31276612 0.80 CTSK (0.62) CTSKCTSSCTSLCTSB
SCHEMBL3821264 0.80 CTSK (0.62) CTSKCTSSCTSLCTSB
SCHEMBL607263 0.79 CTSK (0.61) CTSKCTSSCTSLCTSB
SCHEMBL1410812 0.79 CTSK (0.61) CTSKCTSSCTSLCTSB

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-7368424-B2 Acylated nonadepsipeptides AICURIS GMBH & CO. KG (DE) 2008-05-06 — — US disclosed
US-7368424-B2 Acylated nonadepsipeptides AICURIS GMBH & CO. KG (DE) 2008-05-06 — — US disclosed
US-7368424-B2 Acylated nonadepsipeptides AICURIS GMBH & CO. KG (DE) 2008-05-06 — — US disclosed
US-20050075281-A1 peptide antibiotics comprising lysobactin derivatives used for treatment and/or prophylaxis of bacterial infectious diseases; cyclic peptides BAYER HEALTHCARE AG (DE) 2005-04-07 — — 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-20050075281-A1 peptide antibiotics comprising lysobactin derivatives used for treatment and/or prophylaxis of bacterial infectious diseases; cyclic peptides VIP, LNPEP, HAMP CTSK 393/4885CTSS 459/4885CTSL 65/4885

“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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