SCHEMBL5050554

SCHEMBL5050554

CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N[C@H]([C]=O)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ACE P12821 1/20 0.52
KLK5 Q9Y337 1/20 0.50
NPC1 O15118 1/20 0.50
CMA1 P23946 8/20 0.49
KLK7 P49862 1/20 0.49
LMNA P02545 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
F2 P00734 1/20 0.46
PRSS1 P07477 1/20 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
SCHEMBL5050482 0.88 MEN1 (0.47) CTRB1MEN1KMT2ANPC1LMNA
SCHEMBL2072188 0.86 CTSC (0.53) CTRB1MEN1KMT2AACENPC1
SCHEMBL2072191 0.86 CTSC (0.53) CTRB1MEN1KMT2AACENPC1
SCHEMBL10584420 0.86 CTRB1 (0.71) CTRB1MEN1KMT2ALMNANPSR1
SCHEMBL21748404 0.86 CMA1 (0.63) CTRB1MEN1KMT2AACEKLK5
SCHEMBL3825215 0.86 CMA1 (0.63) CTRB1MEN1KMT2AACEKLK5
SCHEMBL3165695 0.86 CMA1 (0.63) CTRB1MEN1KMT2AACEKLK5
SCHEMBL3165688 0.86 CMA1 (0.63) CTRB1MEN1KMT2AACEKLK5
SCHEMBL10478071 0.86 CTRB1 (0.71) CTRB1MEN1KMT2ALMNANPSR1
SCHEMBL28067687 0.84 ACE (0.56) CTRB1MEN1KMT2AACEKLK5

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 CTRB1 448/4885MEN1 841/4885KMT2A 3838/4885

“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.