SCHEMBL4919116

SCHEMBL4919116

CC(C)(C)NC(=O)c1ccc(Cl)cc1C[C@@H](O)[C@@H](Cc1cc(F)c(F)cc1F)NC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 6/20 0.40
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
KLK5 Q9Y337 2/20 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
MDM2 Q00987 2/20 0.36
CTSL P07711 1/20 0.34
DPP4 P27487 2/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
S1PR3 Q99500 1/20 0.33

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
SCHEMBL4919109 1.00 ANO1 (0.40) ANO1POLBAPEX1KLK5KDM4E
SCHEMBL4926805 0.92 ANO1 (0.40) ANO1POLBAPEX1KLK5KDM4E
SCHEMBL4926793 0.92 ANO1 (0.40) ANO1POLBAPEX1KLK5KDM4E
SCHEMBL4924335 0.90 CTSS (0.44) ANO1KLK5KDM4EALDH1A1GAA
SCHEMBL4924346 0.90 CTSS (0.44) ANO1KLK5KDM4EALDH1A1GAA
SCHEMBL4919668 0.90 KLK5 (0.37) POLBAPEX1KLK5GAAMAPT
SCHEMBL4919653 0.90 KLK5 (0.37) POLBAPEX1KLK5GAAMAPT
SCHEMBL4596947 0.84 ANO1 (0.45) ANO1POLBAPEX1MDM2DPP4
SCHEMBL4597933 0.84 ANO1 (0.42) ANO1POLBAPEX1KDM4EALDH1A1
SCHEMBL4923188 0.83 CTSS (0.44) ANO1KLK5MDM2CTSLCTSS

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 3628/4885POLB 3202/4885APEX1 4435/4885

“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.