Sugi Predict

Sugi Predict / Compounds / SCHEMBL4162891

SCHEMBL4162891

SCHEMBL4162891

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 3/20 0.41
▸ CTSS P25774 2/20 0.41
▸ PREP P48147 1/20 0.39
▸ TRPA1 O75762 2/20 0.39
▸ CTSL P07711 2/20 0.39
▸ CTSB P07858 1/20 0.39
▸ ELANE P08246 1/20 0.38
▸ CA2 P00918 2/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CYP2D6 P10635 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
SCHEMBL13802708 0.88 AAK1 (0.40) CTSKCTSSPREPTRPA1CTSL
SCHEMBL13802733 0.86 CTSK (0.40) CTSKCTSSPREPTRPA1CTSL
SCHEMBL13802704 0.86 CTSK (0.38) CTSKCTSSCTSLCTSBCA2
SCHEMBL13802735 0.85 CTSK (0.42) CTSKCTSSPREPTRPA1CTSL
SCHEMBL13802770 0.85 CTSK (0.42) CTSKCTSSPREPTRPA1CTSL
SCHEMBL13802723 0.85 CTSK (0.40) CTSKCTSSPREPTRPA1CTSL
SCHEMBL13802726 0.85 CTSK (0.40) CTSKCTSSPREPTRPA1CTSL
SCHEMBL13802722 0.84 PREP (0.40) CTSKCTSSPREPTRPA1CTSL
SCHEMBL13802720 0.82 CTSK (0.40) CTSKCTSSPREPTRPA1CTSL
SCHEMBL4176683 0.80 CTSK (0.44) CTSKCTSSPREPTRPA1CTSL

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1529042-B1 ARYLAMIDES INTERMED DISCOVERY GMBH (DE) 2013-02-20 — — EP disclosed
US-20090149528-A1 Cinnamic acid amides BAYER HEALTHCARE AG (DE) 2009-06-11 — — US disclosed
US-20090149528-A1 Cinnamic acid amides BAYER HEALTHCARE AG (DE) 2009-06-11 — — US disclosed
US-20090149528-A1 Cinnamic acid amides BAYER HEALTHCARE AG (DE) 2009-06-11 — — US disclosed
US-7402683-B2 3-(1,3-benzodioxol-5-yl)-N-{(1S)-3-[((1S)-2-methyl-1-{[(3R,4S)-4-methyl-2,5-dioxo-3-pyrrolidinyl]carbonyl}propyl)amino]-3-oxo-1-phenylpropyl}-2-propenamide; bactericide, bacterial infection; septic infections, bone and joint infections, skin infections; veterinary medicine BAYER HEALTHCARE AG (DE) 2008-07-22 — — US disclosed
US-7402683-B2 3-(1,3-benzodioxol-5-yl)-N-{(1S)-3-[((1S)-2-methyl-1-{[(3R,4S)-4-methyl-2,5-dioxo-3-pyrrolidinyl]carbonyl}propyl)amino]-3-oxo-1-phenylpropyl}-2-propenamide; bactericide, bacterial infection; septic infections, bone and joint infections, skin infections; veterinary medicine BAYER HEALTHCARE AG (DE) 2008-07-22 — — US disclosed
US-7402683-B2 3-(1,3-benzodioxol-5-yl)-N-{(1S)-3-[((1S)-2-methyl-1-{[(3R,4S)-4-methyl-2,5-dioxo-3-pyrrolidinyl]carbonyl}propyl)amino]-3-oxo-1-phenylpropyl}-2-propenamide; bactericide, bacterial infection; septic infections, bone and joint infections, skin infections; veterinary medicine BAYER HEALTHCARE AG (DE) 2008-07-22 — — US disclosed
US-7348357-B2 bactericide; derivatives of pseudopeptide Andrimid in which beta-phenylalanine amide is replaced by heteroaromatic or substituted aromatic amide; N-{(1S)-3-[((1S)-1-{[(3R,4S)-1,4-Dimethyl-2,5-dioxo-3-pyrrolidinyl]carbonyl}-2-methylpropyl)amino]-3-oxo-1-phenylpropyl}-2-pyridinecarboxamide; antibiotics BAYER HEALTHCARE AG (DE) 2008-03-25 — — US disclosed
US-7348357-B2 bactericide; derivatives of pseudopeptide Andrimid in which beta-phenylalanine amide is replaced by heteroaromatic or substituted aromatic amide; N-{(1S)-3-[((1S)-1-{[(3R,4S)-1,4-Dimethyl-2,5-dioxo-3-pyrrolidinyl]carbonyl}-2-methylpropyl)amino]-3-oxo-1-phenylpropyl}-2-pyridinecarboxamide; antibiotics BAYER HEALTHCARE AG (DE) 2008-03-25 — — US disclosed
US-7348357-B2 bactericide; derivatives of pseudopeptide Andrimid in which beta-phenylalanine amide is replaced by heteroaromatic or substituted aromatic amide; N-{(1S)-3-[((1S)-1-{[(3R,4S)-1,4-Dimethyl-2,5-dioxo-3-pyrrolidinyl]carbonyl}-2-methylpropyl)amino]-3-oxo-1-phenylpropyl}-2-pyridinecarboxamide; antibiotics BAYER HEALTHCARE AG (DE) 2008-03-25 — — US disclosed
EP-1501795-B1 CINNAMIC ACID AMIDES BAYER HEALTHCARE AG (DE) 2007-02-28 — — EP disclosed
US-20060178369-A1 Cinnamic acid amides INTERMED DISCOVERY GMBH (DE) 2006-08-10 — — US disclosed
US-20060173040-A1 Arylamides BAYER HEALTHCARE AG (DE) 2006-08-03 — — US disclosed
EP-1529042-A1 ARYLAMIDES Bayer HealthCare AG (DE) 2005-05-11 — — EP disclosed
EP-1501795-A1 CINNAMIC ACID AMIDES Bayer Aktiengesellschaft (DE) 2005-02-02 — — EP disclosed
WO-2004113290-A1 SUBSTITUTED ALKYLAMIDES BAYER HEALTHCARE AG (DE) 2004-12-29 — — WO disclosed
WO-2004020432-A1 ARYLAMIDES BAYER HEALTHCARE AG (DE) 2004-03-11 — — WO disclosed
WO-2003091212-A1 CINNAMIC ACID AMIDES BAYER HEALTHCARE AG (DE) 2003-11-06 — — WO 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 (3 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-20060178369-A1 Cinnamic acid amides PIGS, NISCH, PIGO CTSK 1258/4885CTSS 250/4885PREP 92/4885
US-20090149528-A1 Cinnamic acid amides PIGS, NISCH, PIGO CTSK 1258/4885CTSS 250/4885PREP 92/4885
US-20060173040-A1 Arylamides AADAC, AHR, ARSA CTSK 1367/4885CTSS 156/4885PREP 7/4885

“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.