SCHEMBL10310667

SCHEMBL10310667

CC(C)(C)[C@H](NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)O)C2(C)C

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSV O60911 1/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
ELANE P08246 1/20 0.44
CMA1 P23946 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
CTSF Q9UBX1 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
SCHEMBL6876578 1.00 CTSV (0.44) CTSVCTSLCTSBELANECMA1
SCHEMBL16313103 0.93 CTSV (0.44) CTSVCTSLCTSBELANECMA1
SCHEMBL18567784 0.92 CTSV (0.43) CTSVCTSLCTSBELANECMA1
SCHEMBL15623646 0.92 CTSV (0.43) CTSVCTSLCTSBELANECMA1
SCHEMBL3410890 0.90 CTSV (0.43) CTSVCTSLCTSBELANECMA1
SCHEMBL8154517 0.90 CTSV (0.43) CTSVCTSLCTSBELANECMA1
SCHEMBL12140547 0.89 CTSB (0.35) CTSVCTSLCTSBELANECMA1
SCHEMBL16316248 0.89 CTSB (0.33) CTSVCTSLCTSBELANECMA1
SCHEMBL13399542 0.89 CTSB (0.33) CTSVCTSLCTSBELANECMA1
SCHEMBL14049403 0.88 CTSV (0.47) CTSVCTSLCTSBELANECMA1

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
EP-2459525-B1 ENANTIO- AND STEREO-SPECIFIC SYNTHESES OF -AMINO- - HYDROXY AMIDES MERCK SHARP & DOHME (US) 2017-03-01 EP disclosed
US-8680294-B2 Enantio- and stereo specific synthesis of β-amino-α-hydroxy amides MERCK SHARP & DOHME CORP. (US) 2014-03-25 US disclosed
US-20120178942-A1 ENANTIO- AND STEREO-SPECIFIC SYNTHESES OF BETA-AMINO-ALPHA- HYDROXY AMIDES MERCK SHARP & DOHME LLC 2012-07-12 US disclosed
US-20110286969-A1 DEUTERATED COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS SCHERING CORPORATION (US) 2011-11-24 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 (2 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-20120178942-A1 ENANTIO- AND STEREO-SPECIFIC SYNTHESES OF BETA-AMINO-ALPHA- HYDROXY AMIDES CYP8B1, DAO, ASPH CTSV 3493/4885CTSL 2147/4885CTSB 2315/4885
US-20110286969-A1 DEUTERATED COMPOUNDS AS HEPATITIS C VIRUS (HCV) INHIBITORS PEPD, PREP, ACE CTSV 7/4885CTSL 104/4885CTSB 69/4885

“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.