SCHEMBL4182507

SCHEMBL4182507

CCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 3/20 0.47
ITGB3 P05106 2/20 0.39
ITGA2B P08514 2/20 0.39
SLC6A5 Q9Y345 1/20 0.37
MME P08473 1/20 0.36
CPB2 Q96IY4 4/20 0.36
CPB1 P15086 1/20 0.36
POLB P06746 2/20 0.34
P2RY14 Q15391 1/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
PSMB5 P28074 1/20 0.33
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33
ACE P12821 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL4182503 1.00 PIN1 (0.47) PIN1ITGB3ITGA2BSLC6A5MME
SCHEMBL12780533 0.91 PIN1 (0.40) PIN1ITGB3ITGA2BSLC6A5MME
SCHEMBL8957185 0.89 ITGB3 (0.45) PIN1ITGB3ITGA2BSLC6A5CPB2
SCHEMBL4295456 0.89 ITGB3 (0.45) PIN1ITGB3ITGA2BSLC6A5CPB2
SCHEMBL29893883 0.87 PIN1 (0.34) PIN1SLC6A5MMEPOLBP2RY14
SCHEMBL6308753 0.87 PIN1 (0.34) PIN1SLC6A5POLBP2RY14TP53
SCHEMBL6308761 0.87 PIN1 (0.34) PIN1SLC6A5CPB2CPB1POLB
SCHEMBL8957242 0.87 SLC6A5 (0.48) PIN1ITGB3ITGA2BSLC6A5CPB2
SCHEMBL8957248 0.87 SLC6A5 (0.48) PIN1ITGB3ITGA2BSLC6A5CPB2
SCHEMBL6703120 0.86 SLC6A5 (0.35) PIN1SLC6A5MMECPB2CPB1

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 16 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-20250339370-A1 PERFORMANCE-ENHANCING EXCIPIENTS AND METHODS OF REDUCING VISCOSITY AND INCREASING STABILITY OF BIOLOGIC FORMULATIONS AVANTOR PERFORMANCE MATERIALS, LLC (US) 2025-11-06 US disclosed
CN-116546988-A Prodrugs of 5α -hydroxy-6β - [2- (1H-imidazol-4-yl) ethylamino ] cholestan-3β -ol and pharmaceutical compositions for cancer treatment containing the same 登德罗杰尼克斯公司 2023-08-04 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
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 (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-20250339370-A1 PERFORMANCE-ENHANCING EXCIPIENTS AND METHODS OF REDUCING VISCOSITY AND INCREASING STABILITY OF BIOLOGIC FORMULATIONS AADAT, KYNU, PNISR PIN1 2663/4885ITGB3 3803/4885ITGA2B 3816/4885

“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.