SCHEMBL4926793

SCHEMBL4926793

CC(C)(C)NC(=O)c1ccc(Cl)cc1C[C@H](O)[C@@H](Cc1cc(F)ccc1F)NC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 6/20 0.40
SCN9A Q15858 3/20 0.37
KLK5 Q9Y337 1/20 0.36
MDM2 Q00987 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
CTSS P25774 3/20 0.35
CTSK P43235 3/20 0.35
AAK1 Q2M2I8 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
SCHEMBL4926805 1.00 ANO1 (0.40) ANO1SCN9AKLK5MDM2KDM4E
SCHEMBL4919109 0.92 ANO1 (0.40) ANO1KLK5MDM2KDM4EALDH1A1
SCHEMBL4919116 0.92 ANO1 (0.40) ANO1KLK5MDM2KDM4EALDH1A1
SCHEMBL4924335 0.91 CTSS (0.44) ANO1SCN9AKLK5MDM2KDM4E
SCHEMBL4924346 0.91 CTSS (0.44) ANO1SCN9AKLK5MDM2KDM4E
SCHEMBL4923240 0.89 CTSS (0.46) ANO1SCN9AKLK5CTSSCTSK
SCHEMBL4923233 0.89 CTSS (0.46) ANO1SCN9AKLK5CTSSCTSK
SCHEMBL4598495 0.84 ANO1 (0.44) ANO1SCN9AMDM2POLBAPEX1
SCHEMBL4923188 0.84 CTSS (0.44) ANO1SCN9AKLK5MDM2CTSS
SCHEMBL4923180 0.84 CTSS (0.44) ANO1SCN9AKLK5MDM2CTSS

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 3 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

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 3628/4885SCN9A 990/4885KLK5 3364/4885

“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.