SCHEMBL4186743

SCHEMBL4186743

CCCOC(=O)C1CCCN1C(=O)CC

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 16/20 0.46
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL4186745 1.00 FKBP1A (0.46) FKBP1AALDH1A1
SCHEMBL6883802 0.88 FKBP1A (0.47) FKBP1A
SCHEMBL5497946 0.88 FKBP1A (0.47) FKBP1A
SCHEMBL5492839 0.88 FKBP1A (0.47) FKBP1A
SCHEMBL4189488 0.87 FKBP1A (0.56) FKBP1AALDH1A1
SCHEMBL4186372 0.87 FKBP1A (0.56) FKBP1AALDH1A1
SCHEMBL468859 0.86 FKBP1A (0.47) FKBP1AALDH1A1
SCHEMBL468860 0.86 FKBP1A (0.47) FKBP1AALDH1A1
SCHEMBL27262313 0.84 FKBP1A (0.44) FKBP1AALDH1A1
SCHEMBL7048968 0.83 ACE (0.50) FKBP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1865953-A4 COMPOSITION COMPRISING N-PROPANOYL DERIVATIVES OF AMINO ACIDS, AMINOCARBOHYDRATES AND DERIVATIVES THEREOF YU RUEY J (US) 2008-04-30 EP claimed
EP-1865953-A2 COMPOSITION COMPRISING N-PROPANOYL DERIVATIVES OF AMINO ACIDS, AMINOCARBOHYDRATES AND DERIVATIVES THEREOF Yu, Ruey J., Dr. (US) 2007-12-19 EP claimed
WO-2006101940-A2 COMPOSITION COMPRISING N-PROPANOYL DERIVATIVES OF AMINO ACIDS, AMINOCARBOHYDRATES AND DERIVATIVES THEREOF YU, RUEY, J. (US) 2006-09-28 WO claimed
US-20060211754-A1 Compositions comprising N-propanoyl derivatives of amino acids, aminocarbohydrates and derivatives thereof YU RUEY J 2006-09-21 US claimed
US-9586991-B2 Inhibitors of IAP GENENTECH, INC. (US) 2017-03-07 US disclosed
US-8716236-B2 Inhibitors of IAP GENENTECH, INC. (US) 2014-05-06 US disclosed
US-20130172264-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2013-07-04 US disclosed
US-20090186853-A1 COMPOSITIONS COMPRISING N-PROPANOYL DERIVATIVES OF AMINO ACIDS, AMINOCARBOHYDRATES AND DERIVATIVES THEREOF YU RUEY J 2009-07-23 US disclosed
EP-1865953-A4 COMPOSITION COMPRISING N-PROPANOYL DERIVATIVES OF AMINO ACIDS, AMINOCARBOHYDRATES AND DERIVATIVES THEREOF YU RUEY J (US) 2008-04-30 EP disclosed
EP-1865953-A2 COMPOSITION COMPRISING N-PROPANOYL DERIVATIVES OF AMINO ACIDS, AMINOCARBOHYDRATES AND DERIVATIVES THEREOF Yu, Ruey J., Dr. (US) 2007-12-19 EP disclosed
WO-2006101940-A2 COMPOSITION COMPRISING N-PROPANOYL DERIVATIVES OF AMINO ACIDS, AMINOCARBOHYDRATES AND DERIVATIVES THEREOF YU, RUEY, J. (US) 2006-09-28 WO disclosed
US-20060211754-A1 Compositions comprising N-propanoyl derivatives of amino acids, aminocarbohydrates and derivatives thereof YU RUEY J 2006-09-21 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-20130172264-A1 INHIBITORS OF IAP BIRC5, XIAP, BIRC3 FKBP1A 1562/4885ALDH1A1 3819/4885

“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.