SCHEMBL5045442

SCHEMBL5045442

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

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CTSK P43235 13/20 0.43
CTSS P25774 9/20 0.42
CYP2D6 P10635 1/20 0.41
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL18762484 0.84 CTSK (0.48) CA1CA2CA7CTSKCTSS
SCHEMBL26129040 0.84 CA1 (0.44) CA1CA2CA7CTSKCTSS
SCHEMBL26129038 0.84 CA1 (0.44) CA1CA2CA7CTSKCTSS
SCHEMBL18762487 0.84 CTSK (0.48) CA1CA2CA7CTSKCTSS
SCHEMBL3212391 0.84 CA1 (0.46) CA1CA2CA7CTSKCTSS
SCHEMBL5450014 0.84 CTSK (0.50) CA1CA2CA7CTSKCTSS
SCHEMBL2405498 0.84 CA1 (0.46) CA1CA2CA7CTSKCTSS
SCHEMBL10829328 0.82 CTSK (0.46) CA1CA2CA7CTSKCTSS
SCHEMBL2402020 0.82 CA1 (0.45) CA1CA2CA7CTSKCTSS
SCHEMBL6826879 0.81 CA1 (0.44) CA1CA2CA7CTSKCTSS

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
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 CA1 4780/4885CA2 3865/4885CA7 4392/4885

“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.