SCHEMBL3704677

SCHEMBL3704677

CCC(=O)NC(Cc1ccccc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.61
MME P08473 2/20 0.59
PSMB5 P28074 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
CPA1 P15085 1/20 0.58
ACE2 Q9BYF1 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
PIN1 Q13526 1/20 0.57
FAAH O00519 2/20 0.56
NAALAD2 Q9Y3Q0 1/20 0.56
ECE1 P42892 1/20 0.56
LMNA P02545 1/20 0.56

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
SCHEMBL10076052 1.00 ACE (0.61) ACEMMEPSMB5L3MBTL1CPA1
SCHEMBL4182347 1.00 ACE (0.61) ACEMMEPSMB5L3MBTL1CPA1
SCHEMBL15692319 0.94 PSMB5 (0.64) ACEMMEPSMB5CPA1ACE2
SCHEMBL7901632 0.92 MME (0.66) ACEMMECPA1ACE2
SCHEMBL7903892 0.92 MME (0.66) ACEMMECPA1ACE2
SCHEMBL17361045 0.89 ACE (0.65) ACEMMEPSMB5L3MBTL1CPA1
SCHEMBL27724295 0.89 ACE (0.65) ACEMMEPSMB5L3MBTL1CPA1
SCHEMBL29337392 0.89 ACE (0.54) ACEMMEPSMB5L3MBTL1CPA1
SCHEMBL8533429 0.88 PSMB5 (0.58) ACEPSMB5
SCHEMBL16473192 0.88 ALDH1A1 (0.60) ACEPSMB5

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 39 patents — showing the first 20. 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
CN-116926140-A A fatty acylated amino acid with effect of enhancing or improving food taste, and its preparation method 华南理工大学 2023-10-24 CN 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
CN-108395474-B Method for coupling pyrazole with phenylalanine compound through visible light induction 武汉大学 2021-02-19 CN disclosed
US-10620143-B2 Sensor and method of detecting an analyte using 19F NMR MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-04-14 US disclosed
US-20170143835-A1 SUBSTITUTED ANIONIC COMPOUNDS CONSISTING OF A BACKBONE MADE UP OF A DISCRETE NUMBER OF SACCHARIDE UNITS ADOCIA (FR) 2017-05-25 US disclosed
US-9567297-B2 Method for synthesizing of thioesters by using compound as catalyst NATIONAL CENTRAL UNIVERSITY (TW) 2017-02-14 US disclosed
EP-0080283-B1 N-CARBOXYALKYLPROLINE-CONTAINING TRIPEPTIDES SMITHKLINE BECKMAN CORPORATION (US) 1986-01-29 EP disclosed
US-4380646-A Method for the N-acylation of aminocarboxylic acids DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) 1983-04-19 US disclosed
EP-0033392-B1 PROCESS FOR THE ACYLATION OF AMINO ACIDS HÜLS TROISDORF AKTIENGESELLSCHAFT (DE) 1983-03-30 EP disclosed
EP-0033392-A1 Process for the acylation of amino acids HÜLS TROISDORF AKTIENGESELLSCHAFT (DE) 1981-08-12 EP disclosed
US-4262092-A Process for producing N-acyl-D-phenylalanine ester ETHYL CORPORATION (US) 1981-04-14 US disclosed
US-4151198-A Resolution of N-acyl-DL (+)-phenylalanines AMERICAN CYANAMID COMPANY (US) 1979-04-24 US disclosed
US-3996288-A Method of producing aldehydes by hydroformylation AJINOMOTO CO., INC. (JA) 1976-12-07 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-20170143835-A1 SUBSTITUTED ANIONIC COMPOUNDS CONSISTING OF A BACKBONE MADE UP OF A DISCRETE NUMBER OF SACCHARIDE UNITS ALG8, FUT8, UGT8 ACE 540/4885MME 896/4885PSMB5 3290/4885

“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.