SCHEMBL539839

SCHEMBL539839

COC(=O)[C@H](Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.50
KLK5 Q9Y337 1/20 0.49
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
CTSS P25774 6/20 0.45
CTSK P43235 5/20 0.45
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
ACE P12821 1/20 0.43
F2 P00734 1/20 0.43
F11 P03951 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
EPHX2 P34913 1/20 0.42
ESR2 Q92731 1/20 0.41
ATM Q13315 1/20 0.41
DGAT1 O75907 1/20 0.40

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
SCHEMBL30400176 1.00 AAK1 (0.50) AAK1KLK5ITGB3ITGA2BCTSS
SCHEMBL539840 1.00 AAK1 (0.50) AAK1KLK5ITGB3ITGA2BCTSS
SCHEMBL15615749 0.97 CTSS (0.49) AAK1KLK5ITGB3ITGA2BCTSS
SCHEMBL16934587 0.97 CTSS (0.49) AAK1KLK5ITGB3ITGA2BCTSS
SCHEMBL17459580 0.94 AAK1 (0.51) AAK1KLK5ITGB3ITGA2BCTSS
SCHEMBL21732913 0.94 AAK1 (0.51) AAK1KLK5ITGB3ITGA2BCTSS
SCHEMBL17459578 0.94 AAK1 (0.51) AAK1KLK5ITGB3ITGA2BCTSS
SCHEMBL23419294 0.91 AAK1 (0.48) AAK1KLK5ITGB3ITGA2BCTSS
SCHEMBL7230674 0.91 AAK1 (0.48) AAK1KLK5ITGB3ITGA2BCTSS
SCHEMBL16469777 0.90 AAK1 (0.50) AAK1KLK5ITGB3ITGA2BCTSS

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 78 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250381168-A1 VLA4 INHIBITORS AND USES THEREOF WASHINGTON UNIVERSITY ST LOUIS (US) 2025-12-18 US disclosed
WO-2023250339-A2 VLA4 INHIBITORS AND USES THEREOF WASHINGTON UNIVERSITY (US) 2023-12-28 WO disclosed
WO-2023239925-A1 CYCLOPHILIN INHIBITORS AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2023-12-14 WO disclosed
US-20230348483-A1 PREPARATION METHOD FOR (S)-2-AMINO-3-(4-(2,3-DIMETHYLPYRIDIN-4-YL)PHENYL)METHYL PROPIONATE DIACID SALT Hangzhou zhongmei huadong pharmaceutical co ltd (CN) 2023-11-02 US disclosed
US-20230348483-A1 PREPARATION METHOD FOR (S)-2-AMINO-3-(4-(2,3-DIMETHYLPYRIDIN-4-YL)PHENYL)METHYL PROPIONATE DIACID SALT Hangzhou zhongmei huadong pharmaceutical co ltd (CN) 2023-11-02 US disclosed
US-20230348390-A1 METHOD FOR PREPARING METHYL(S)-2-AMINO-3-(4-(2,3-DIMETHYLPYRIDIN-4-YL)PHENYLPROPIONATE AND SALT THEREOF Hangzhou zhongmei huadong pharmaceutical co ltd (CN) 2023-11-02 US disclosed
US-20230072397-A1 Antimicrobial Compounds and Methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-03-09 US disclosed
CN-115667219-A Preparation method of (S) -2-amino-3- (4- (2,3-dimethylpyridine-4-yl) phenyl) methyl propionate diacid salt 杭州中美华东制药有限公司 2023-01-31 CN disclosed
WO-2021242807-A1 METHODS FOR PREPARING METHYL (S)-2-AMINO-3-(4-(2,3-DIMETHYLPYRIDIN-4-YL)PHENYL)PROPIONATE AND HYDROCHLORIC ACID SALTS THEREOF VTV THERAPEUTICS LLC (US) 2021-12-02 WO disclosed
CN-109053723-B Sulfonamide derivatives and pharmaceutical use thereof EA制药株式会社 2021-09-03 CN disclosed
WO-2009042733-A1 SOLIDS FORMS OF ( S) -ETHYL 2-AMIN0-3- (4- (2 -AMINO- 6- ( (R) -1- (4-CHL0R0-2- O-METHYL-IH-PYRAZOL- 1-YL) PHENYL) -2, 2, 2-TRIFLUORETHOXY) -PYRIMIDIN-4-YL) PHENYL) PROPANOATE LEXICON PHARMACEUTICALS, INC. (US) 2009-04-02 WO disclosed
US-20090088447-A1 SOLID FORMS OF (S)-ETHYL 2-AMINO-3-(4-(2-AMINO-6-((R)-1-(4-CHLORO-2-(3-METHYL-1H-PYRAZOL-1-YL)PHENYL)-2,2,2-TRIFLUOROETHOXY)-PYRIMIDIN-4-YL)PHENYL)PROPANOATE AND METHODS OF THEIR USE TERSERA THERAPEUTICS LLC 2009-04-02 US disclosed
WO-2009029499-A1 METHODS OF PREPARING 4-PHENYL-6-(2,2,2-TRIFLUORO-1-PHENYLETHOXY)PYRIMIDINE-BASED COMPOUNDS LEXICON PHARMACEUTICALS, INC. (US) 2009-03-05 WO disclosed
US-20090062540-A1 METHODS OF PREPARING 4-PHENYL-6-(2,2,2-TRIFLUORO-1-PHENYLETHOXY)PYRIMIDINE-BASED COMPOUNDS LEXICON PHARMACEUTICALS, INC. 2009-03-05 US disclosed
US-20090062540-A1 METHODS OF PREPARING 4-PHENYL-6-(2,2,2-TRIFLUORO-1-PHENYLETHOXY)PYRIMIDINE-BASED COMPOUNDS LEXICON PHARMACEUTICALS, INC. 2009-03-05 US disclosed
US-20090048280-A1 Process for the preparation of substituted phenylalanines TERSERA THERAPEUTICS LLC 2009-02-19 US disclosed
US-20080280909-A1 NEW PHENYLALANINE DERIVATIVES AJINOMOTO CO., INC. (JP) 2008-11-13 US disclosed
US-20080280909-A1 NEW PHENYLALANINE DERIVATIVES AJINOMOTO CO., INC. (JP) 2008-11-13 US disclosed
US-7250516-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2007-07-31 US disclosed
US-7250516-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2007-07-31 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 (8 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-20230348483-A1 PREPARATION METHOD FOR (S)-2-AMINO-3-(4-(2,3-DIMETHYLPYRIDIN-4-YL)PHENYL)METHYL PROPIONATE DIACID SALT SRD5A2, PKD2, SRM AAK1 3248/4885KLK5 955/4885ITGB3 2914/4885
US-20080280909-A1 NEW PHENYLALANINE DERIVATIVES ITGB4, VCAM1, ITGA4 AAK1 2105/4885KLK5 1869/4885ITGB3 10/4885
US-20090088447-A1 SOLID FORMS OF (S)-ETHYL 2-AMINO-3-(4-(2-AMINO-6-((R)-1-(4-CHLORO-2-(3-METHYL-1H-PYRAZOL-1-YL)PHENYL)-2,2,2-TRIFLUOROETHOXY)-PYRIMIDIN-4-YL)PHENYL)PROPANOATE AND METHODS OF THEIR USE CPS1, TUBA3C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 AAK1 1734/4885KLK5 3401/4885ITGB3 1777/4885
US-20230072397-A1 Antimicrobial Compounds and Methods MPO, NISCH, RPN2 AAK1 2954/4885KLK5 843/4885ITGB3 4036/4885
US-20090062540-A1 METHODS OF PREPARING 4-PHENYL-6-(2,2,2-TRIFLUORO-1-PHENYLETHOXY)PYRIMIDINE-BASED COMPOUNDS DPYD, TYMP, NUDT1 AAK1 3075/4885KLK5 2934/4885ITGB3 4046/4885
US-20230348390-A1 METHOD FOR PREPARING METHYL(S)-2-AMINO-3-(4-(2,3-DIMETHYLPYRIDIN-4-YL)PHENYLPROPIONATE AND SALT THEREOF SRM, KDM4B, DDC AAK1 1716/4885KLK5 2562/4885ITGB3 4209/4885
US-20090048280-A1 Process for the preparation of substituted phenylalanines PAH, TYR, NPEPPS AAK1 2167/4885KLK5 2221/4885ITGB3 4703/4885
US-20250381168-A1 VLA4 INHIBITORS AND USES THEREOF CXCR4, SDF4, ITGB4 AAK1 1343/4885KLK5 2119/4885ITGB3 57/4885

“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.