SCHEMBL5848718

SCHEMBL5848718

CCSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.51
CTSS P25774 5/20 0.51
PPARA Q07869 9/20 0.48
PPARG P37231 8/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
PPARD Q03181 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42

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
SCHEMBL880686 0.88 PPARA (0.57) CTSKCTSSPPARAPPARGCYP1A2
SCHEMBL2118283 0.87 CTSK (0.56) CTSKCTSSPPARAPPARGCYP1A2
SCHEMBL2118282 0.87 CTSK (0.56) CTSKCTSSPPARAPPARGCYP1A2
SCHEMBL30788842 0.87 CTSK (0.52) CTSKCTSSPPARAPPARGCYP1A2
SCHEMBL24335310 0.87 CYP1A2 (0.49) CTSKCTSSPPARAPPARGCYP1A2
SCHEMBL24335172 0.87 CYP1A2 (0.49) CTSKCTSSPPARAPPARGCYP1A2
SCHEMBL10832738 0.85 CTSK (0.49) CTSKCTSSPPARAPPARGCYP1A2
SCHEMBL30788752 0.85 CTSK (0.49) CTSKCTSSPPARAPPARGCYP1A2
SCHEMBL10832745 0.85 CTSK (0.49) CTSKCTSSPPARAPPARGCYP1A2
SCHEMBL3068814 0.84 PPARA (0.60) CTSKCTSSPPARAPPARGCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030262-B2 3-Amino-2-hydroxyalkanoic acids and their prodrugs ABBOTT LABORATORIES (US) 2006-04-18 US disclosed
EP-1546087-A1 3-AMINO-2-HRYDROXYALKANOIC ACIDS AND THEIR PRODRUGS Abbott Laboratories (US) 2005-06-29 EP disclosed
US-6887863-B2 Hydrazide and alkoxyamide angiogenesis inhibitors ABBOTT LABORATORIES (US) 2005-05-03 US disclosed
EP-1272456-B1 HYDRAZIDE AND ALKOXYAMIDE ANGIOGENESIS INHIBITORS ABBOTT LAB (US) 2004-10-27 EP disclosed
US-20040167126-A1 Hydrazide and alkoxyamide angiogenesis inhibitors ABBVIE INC. 2004-08-26 US disclosed
US-20040122098-A1 3-Amino-2-hydroxyalkanoic acids and their prodrugs ABBVIE INC. 2004-06-24 US disclosed
WO-2004013085-A1 3-AMINO-2-HRYDROXYALKANOIC ACIDS AND THEIR PRODRUGS ABBOTT LABORATORIES (US) 2004-02-12 WO disclosed
EP-1272456-A1 HYDRAZIDE AND ALKOXYAMIDE ANGIOGENESIS INHIBITORS Abbott Laboratories (US) 2003-01-08 EP disclosed
US-20020002152-A1 Hydrazide and alkoxyamide angiogenesis inhibitors ABBOTT LABORATORIES 2002-01-03 US disclosed
WO-2001079157-A1 HYDRAZIDE AND ALKOXYAMIDE ANGIOGENESIS INHIBITORS ABBOTT LABORATORIES (US) 2001-10-25 WO disclosed
CN-1308608-A Substituted beta-amino acid inhibitors of methionine aminopeptidase-2 ABBOTT LAB (US) 2001-08-15 CN disclosed
US-6242494-B1 ANGIOGENESIS INHIBITORS, ANTITUMOR AGENTS, DIABETIC RETINOPATHY, AND ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES 2001-06-05 US disclosed
EP-1073633-A2 SUBSTITUTED BETA-AMINO ACID INHIBITORS OF METHIONINE AMINOPEPTIDASE-2 ABBOTT LABORATORIES (US) 2001-02-07 EP disclosed
WO-1999057098-A2 SUBSTITUTED BETA-AMINO ACID INHIBITORS OF METHIONINE AMINOPEPTIDASE-2 ABBOTT LABORATORIES (US) 1999-11-11 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-20040122098-A1 3-Amino-2-hydroxyalkanoic acids and their prodrugs HDGF, HCAR2, HCAR3 CTSK 1816/4885CTSS 1360/4885PPARA 455/4885
US-20040167126-A1 Hydrazide and alkoxyamide angiogenesis inhibitors METAP2, METAP1, ANPEP CTSK 2334/4885CTSS 1777/4885PPARA 4124/4885
US-20020002152-A1 Hydrazide and alkoxyamide angiogenesis inhibitors METAP2, METAP1, ANPEP CTSK 2334/4885CTSS 1777/4885PPARA 4124/4885

“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.