SCHEMBL4929520

SCHEMBL4929520

CC(C)(C)NC(=O)c1c(Cl)cccc1C[C@H](O)[C@@H](Cc1ccccc1F)NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.46
CTSS P25774 1/20 0.46
LMNA P02545 2/20 0.40
PTPN1 P18031 1/20 0.39
KLK5 Q9Y337 3/20 0.39
SCN9A Q15858 7/20 0.39
CCR1 P32246 1/20 0.37
MITF O75030 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL4929526 1.00 CTSK (0.46) CTSKCTSSLMNAPTPN1KLK5
SCHEMBL4917991 0.90 CTSS (0.46) CTSKCTSSLMNAPTPN1KLK5
SCHEMBL4917998 0.90 CTSS (0.46) CTSKCTSSLMNAPTPN1KLK5
SCHEMBL4924335 0.84 CTSS (0.44) CTSKCTSSPTPN1KLK5SCN9A
SCHEMBL4924346 0.84 CTSS (0.44) CTSKCTSSPTPN1KLK5SCN9A
SCHEMBL4923180 0.84 CTSS (0.44) CTSKCTSSPTPN1KLK5SCN9A
SCHEMBL4923188 0.84 CTSS (0.44) CTSKCTSSPTPN1KLK5SCN9A
SCHEMBL4597919 0.83 LMNA (0.42) LMNACCR1MAPTNPSR1
SCHEMBL4598158 0.83 CTSS (0.52) CTSKCTSSLMNAPTPN1SCN9A
Hydrochloric Acid SCHEMBL4928097 0.82 LMNA (0.41) LMNACCR1MAPTNPSR1

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 CTSK 2871/4885CTSS 2054/4885LMNA 3446/4885

“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.