SCHEMBL4597933

SCHEMBL4597933

CC(C)(C)NC(=O)c1ccc(Cl)cc1CC(=O)[C@@H](Cc1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 6/20 0.42
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
CTSS P25774 2/20 0.39
CTSK P43235 2/20 0.39
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
CTSL P07711 1/20 0.38
ACE P12821 1/20 0.37
MC4R P32245 1/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
PTPN1 P18031 1/20 0.35
SCN9A Q15858 1/20 0.34

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
SCHEMBL4597309 0.92 SCN9A (0.42) ANO1ALDH1A1MAPTKDM4EGAA
SCHEMBL4656188 0.90 CTSS (0.51) ANO1ALDH1A1MAPTKDM4EGAA
SCHEMBL4656187 0.90 CTSS (0.51) ANO1ALDH1A1MAPTKDM4EGAA
SCHEMBL4599060 0.90 CTSS (0.39) ALDH1A1MAPTKDM4EGAAPKM
SCHEMBL4919116 0.84 ANO1 (0.40) ANO1ALDH1A1MAPTKDM4EGAA
SCHEMBL4919109 0.84 ANO1 (0.40) ANO1ALDH1A1MAPTKDM4EGAA
SCHEMBL4598248 0.83 CTSS (0.51) ANO1ALDH1A1MAPTKDM4EGAA
SCHEMBL268932 0.82 ANO1 (0.43) ANO1ALDH1A1MAPTKDM4EGAA
SCHEMBL4598875 0.81 CTSS (0.52) CTSSCTSKACEPTPN1SCN9A
SCHEMBL277955 0.79 CTSS (0.40) ANO1CTSSCTSKCTSLMC4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910274-B1 PHENYL COMPOUNDS LILLY CO ELI (US) 2012-08-08 EP disclosed
US-8076514-B2 Dipeptidyl peptidase IV inhibitors; Type II diabetes; 2-[(2S,3R)-3-Amino-2-hydroxy-4-(2,4,5-trifluoro-phenyl)-butyl]-N-tert-butyl-4-chloro-benzamide Hydrochloride ELI LILLY AND COMPANY (US) 2011-12-13 US disclosed
US-20080221217-A1 Phenyl Compounds and Their Use in the Treatment of Type II Diabetes ELI LILLY AND COMPANY 2008-09-11 US disclosed
EP-1910274-A1 PHENYL COMPOUNDS Eli Lilly and Company (US) 2008-04-16 EP disclosed
WO-2007015807-A1 PHENYL COMPOUNDS ELI LILLY AND COMPANY (US) 2007-02-08 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-20080221217-A1 Phenyl Compounds and Their Use in the Treatment of Type II Diabetes DPP4, GPR119, SLC5A2 ANO1 3628/4885ALDH1A1 797/4885MAPT 4627/4885

“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.