SCHEMBL4176683

SCHEMBL4176683

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.44
CTSS P25774 2/20 0.44
TRPA1 O75762 2/20 0.41
CA2 P00918 2/20 0.40
CA1 P00915 1/20 0.40
CA7 P43166 1/20 0.40
PREP P48147 1/20 0.39
CTSL P07711 2/20 0.38
CTSB P07858 1/20 0.38
ELANE P08246 1/20 0.38
IDO1 P14902 1/20 0.37
CYP2D6 P10635 1/20 0.37
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL13802754 0.88 CTSK (0.36) CTSKCTSSTRPA1CA2CA1
SCHEMBL13802743 0.87 CTSS (0.49) CTSKCTSSCA2CA1CA7
SCHEMBL13802748 0.87 CTSS (0.49) CTSKCTSSCA2CA1CA7
SCHEMBL13802749 0.85 CTSS (0.39) CTSKCTSSCA2CA1CA7
SCHEMBL4162885 0.84 IDO1 (0.38) CTSKCTSSCA2CA1CA7
SCHEMBL13802659 0.81 KLK5 (0.45) CTSKCTSSIDO1
SCHEMBL14131867 0.81 KLK5 (0.45) CTSKCTSSIDO1
SCHEMBL4162914 0.80 CTSL (0.48) CTSKCTSSCA2CA1CA7
SCHEMBL4162891 0.80 CTSK (0.41) CTSKCTSSTRPA1CA2CA1
SCHEMBL4174487 0.80 CTSK (0.46) CTSKCTSSCA2CA1CA7

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 23 patents — showing the first 20. 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-7544709-B2 Bactericides; (S)-3-(3-Butylureido)-N-{(S)-2-methyl-1-[1-((3R,4S)-4-methyl-2,5-dioxopyrrolidin-3-yl)-methanoyl]propyl}-3-phenylpropionamide; chemical intermediates; for treating bacterial diseases BAYER HEALTHCARE AG (DE) 2009-06-09 US disclosed
US-7544709-B2 Bactericides; (S)-3-(3-Butylureido)-N-{(S)-2-methyl-1-[1-((3R,4S)-4-methyl-2,5-dioxopyrrolidin-3-yl)-methanoyl]propyl}-3-phenylpropionamide; chemical intermediates; for treating bacterial diseases BAYER HEALTHCARE AG (DE) 2009-06-09 US disclosed
US-7544709-B2 Bactericides; (S)-3-(3-Butylureido)-N-{(S)-2-methyl-1-[1-((3R,4S)-4-methyl-2,5-dioxopyrrolidin-3-yl)-methanoyl]propyl}-3-phenylpropionamide; chemical intermediates; for treating bacterial diseases BAYER HEALTHCARE AG (DE) 2009-06-09 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
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-1448521-B1 DERIVATIVES OF ANDRIMIDE AND MOIRAMIDE B HAVING ANTIBACTERIAL PROPERTIES BAYER HEALTHCARE AG (DE) 2005-09-28 EP disclosed
EP-1529042-A1 ARYLAMIDES Bayer HealthCare AG (DE) 2005-05-11 EP disclosed
US-20050080129-A1 Derivatives of andrimide and moiramide b having antibacterial properties BAYER HEALTHCARE AG (DE) 2005-04-14 US 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 (4 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 250/4885TRPA1 946/4885
US-20090149528-A1 Cinnamic acid amides PIGS, NISCH, PIGO CTSK 1258/4885CTSS 250/4885TRPA1 946/4885
US-20060173040-A1 Arylamides AADAC, AHR, ARSA CTSK 1367/4885CTSS 156/4885TRPA1 290/4885
US-20050080129-A1 Derivatives of andrimide and moiramide b having antibacterial properties WEE1, MTX2, WEE2 CTSK 1599/4885CTSS 1990/4885TRPA1 2689/4885

“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.