SCHEMBL4177568

SCHEMBL4177568

CCC(=O)N[C@@H](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
SCHEMBL4177566 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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112105604-B Novel compounds exhibiting intestinal peptidase inhibitory activity 株式会社LG化学 2024-01-09 CN claimed
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
CN-111225688-B FBSA-based therapy and radiological imaging conjugates targeting carbonic anhydrase-positive cancers 普渡研究基金会 2025-06-17 CN disclosed
US-20250025438-A1 Derivative of aspartic acid and use thereof in treatment of metabolic diseases such as hepatic fibrosis and non-alcoholic hepatitis SHENZHEN JINGTAI TECHNOLOGY CO., LTD. (CN) 2025-01-23 US disclosed
CN-118234705-A Aspartic acid derivative and application thereof in treatment of liver fibrosis, nonalcoholic hepatitis and other metabolic diseases 深圳利沃生物医药科技有限公司 2024-06-21 CN disclosed
CN-112105604-B Novel compounds exhibiting intestinal peptidase inhibitory activity 株式会社LG化学 2024-01-09 CN disclosed
US-20230398226-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF VIRAL INFECTIONS CIDARA THERAPEUTICS, INC. 2023-12-14 US disclosed
US-11833213-B2 Compositions and methods for the treatment of viral infections CIDARA THERAPEUTICS, INC. (US) 2023-12-05 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

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-20230398226-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF VIRAL INFECTIONS FCGR3B, ALB, FCGR1A CA2 2150/4885CA4 499/4885CASP3 3453/4885
US-11833213-B2 Compositions and methods for the treatment of viral infections FCGR3B, ALB, FCGR1A CA2 2150/4885CA4 499/4885CASP3 3453/4885
US-20250025438-A1 Derivative of aspartic acid and use thereof in treatment of metabolic diseases such as hepatic fibrosis and non-alcoholic hepatitis GOT1, GOT2, GLS2 CA2 2121/4885CA4 1466/4885CASP3 2703/4885

“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.