SCHEMBL4177566

SCHEMBL4177566

CCC(=O)NC(CC(=O)O)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.60
CA4 P22748 1/20 0.60
CASP3 P42574 1/20 0.46
EPHX2 P34913 2/20 0.46
CYP2C9 P11712 1/20 0.45
MME P08473 5/20 0.43
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FNTA P49354 2/20 0.41
FNTB P49356 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
PIN1 Q13526 1/20 0.41

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
SCHEMBL4177568 1.00 CA2 (0.60) CA2CA4CASP3EPHX2CYP2C9
SCHEMBL15605900 1.00 CA2 (0.60) CA2CA4CASP3EPHX2CYP2C9
SCHEMBL10020471 0.96 CA2 (0.56) CA2CA4CASP3EPHX2CYP2C9
SCHEMBL10076119 0.85 ECE1 (0.53) CA2CA4CYP2C9MMEPIN1
SCHEMBL14088908 0.85 CA2 (0.55) CA2CA4CASP3EPHX2MME
SCHEMBL12426671 0.85 CA2 (0.55) CA2CA4CASP3EPHX2MME
SCHEMBL4182303 0.85 ECE1 (0.53) CA2CA4CYP2C9MMEPIN1
SCHEMBL4182306 0.85 ECE1 (0.53) CA2CA4CYP2C9MMEPIN1
SCHEMBL17624828 0.84 CA2 (0.44) CA2CA4CASP3EPHX2CYP2C9
SCHEMBL17636441 0.84 CA2 (0.44) CA2CA4CASP3EPHX2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090186853-A1 COMPOSITIONS COMPRISING N-PROPANOYL DERIVATIVES OF AMINO ACIDS, AMINOCARBOHYDRATES AND DERIVATIVES THEREOF YU RUEY J 2009-07-23 US claimed
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-20050171194-A1 Enlargement of mucocutaneous or cutaneous organs and sites with topical compositions YU RUEY J (US) 2005-08-04 US claimed
WO-2005055947-A2 ENLARGEMENT OF MUCOCUTANEOUS OR CUTANEOUS ORGANS AND SITES WITH TOPICAL COMPOSITIONS YU RUEY J (US) 2005-06-23 WO claimed
US-20130157298-A1 2-(2-Hydroxybiphenyl-3-yl)-1H-Benzoimidazole-5-Carboxamidine Derivatives as Factor VIIA Inhibitors PHARMACYCLICS, INC. (US) 2013-06-20 US disclosed
EP-2206736-A1 Polyglutamate-amino acid conjugates and methods Nitto Denko Corporation (JP) 2010-07-14 EP disclosed
CN-101492494-A Integrin ligand cyclic peptide analogues and cyclization method UNIV ZHEJIANG (CN) 2009-07-29 CN disclosed
US-20090186853-A1 COMPOSITIONS COMPRISING N-PROPANOYL DERIVATIVES OF AMINO ACIDS, AMINOCARBOHYDRATES AND DERIVATIVES THEREOF YU RUEY J 2009-07-23 US disclosed
US-20090054432-A1 2-(2-Hydroxybiphenyl-3-yl)-1H-Benzoimidazole-5-Carboxamidine Derivatives as Factor VIIA Inhibitors PHARMACYLICS, INC. A DELAWARE CORPORATION (US) 2009-02-26 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
US-20050171194-A1 Enlargement of mucocutaneous or cutaneous organs and sites with topical compositions YU RUEY J (US) 2005-08-04 US disclosed
WO-2005055947-A2 ENLARGEMENT OF MUCOCUTANEOUS OR CUTANEOUS ORGANS AND SITES WITH TOPICAL COMPOSITIONS YU RUEY J (US) 2005-06-23 WO disclosed
EP-0015544-B1 DERIVATIVES OF THE MERCAPTOPROPIONAMIDO-ACETIC ACID, PROCESS FOR THE PREPARATION THEREOF AND COMPOSITIONS ZAMBON S.p.A. (IT) 1983-01-05 EP 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-20090054432-A1 2-(2-Hydroxybiphenyl-3-yl)-1H-Benzoimidazole-5-Carboxamidine Derivatives as Factor VIIA Inhibitors F13B, HABP2, F7 CA2 2419/4885CA4 1577/4885CASP3 588/4885

“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.