SCHEMBL5045486

SCHEMBL5045486

CC(C)(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(C(=O)O)CCC(C(F)(F)F)CC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.43
CTSS P25774 13/20 0.42
CTSK P43235 11/20 0.42
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38
CTSB P07858 2/20 0.37
KMT2A Q03164 1/20 0.37
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL5048335 0.90 CTSL (0.43) CTSLCTSSCTSKHDAC4HDAC1
SCHEMBL5048251 0.86 CTSL (0.42) CTSLCTSSCTSKHDAC4HDAC1
SCHEMBL3817398 0.84 CTSL (0.46) CTSLCTSSCTSKHDAC4HDAC1
SCHEMBL6477869 0.77 CTSL (0.42) CTSLCTSSCTSKHDAC4HDAC1
SCHEMBL3827244 0.74 CTSS (0.43) CTSLCTSSCTSKHDAC4HDAC1
SCHEMBL3827241 0.74 CTSL (0.45) CTSLCTSSCTSKHDAC4HDAC1
SCHEMBL15086641 0.73 HDAC4 (0.41) CTSLCTSSCTSKHDAC4HDAC1
SCHEMBL6503858 0.73 CTSL (0.76) CTSLCTSSCTSKCTSB
SCHEMBL12070307 0.72 HDAC4 (0.41) CTSLCTSSCTSKHDAC4HDAC1
SCHEMBL6493540 0.71 CTSL (0.69) CTSLCTSSCTSKCTSB

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 CTSL 65/4885CTSS 459/4885CTSK 393/4885

“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.