SCHEMBL4597309

SCHEMBL4597309

CC(C)(C)NC(=O)c1ccc(Cl)cc1CC(=O)[C@@H](Cc1cc(F)ccc1F)NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.42
ANO1 Q5XXA6 6/20 0.42
CTSS P25774 3/20 0.40
CTSK P43235 3/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
CTSL P07711 1/20 0.37
PTPN1 P18031 1/20 0.36
ACE P12821 1/20 0.36
MC4R P32245 1/20 0.36
CYP3A4 P08684 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36

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
SCHEMBL4597933 0.92 ANO1 (0.42) SCN9AANO1CTSSCTSKKDM4E
SCHEMBL4656187 0.91 CTSS (0.51) SCN9AANO1CTSSCTSKKDM4E
SCHEMBL4656188 0.91 CTSS (0.51) SCN9AANO1CTSSCTSKKDM4E
SCHEMBL4598875 0.89 CTSS (0.52) SCN9ACTSSCTSKPTPN1ACE
SCHEMBL4598248 0.84 CTSS (0.51) SCN9AANO1CTSSCTSKKDM4E
SCHEMBL4926805 0.84 ANO1 (0.40) SCN9AANO1CTSSCTSKKDM4E
SCHEMBL4926793 0.84 ANO1 (0.40) SCN9AANO1CTSSCTSKKDM4E
SCHEMBL268932 0.83 ANO1 (0.43) SCN9AANO1CTSSCTSKKDM4E
SCHEMBL267989 0.82 SCN9A (0.40) SCN9ACTSSCTSKPTPN1ACE
SCHEMBL4599060 0.82 CTSS (0.39) SCN9ACTSSCTSKKDM4EALDH1A1

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 SCN9A 990/4885ANO1 3628/4885CTSS 2054/4885

“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.