SCHEMBL4598282

SCHEMBL4598282

Cc1cccc(C(=O)NC(C)(C)C)c1C[C@H](O)[C@H](N)Cc1ccccc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR5 P32302 6/20 0.40
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ANO1 Q5XXA6 2/20 0.37
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
LMNA P02545 1/20 0.35
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
PSMB8 P28062 1/20 0.34
PSMB5 P28074 1/20 0.34
DPP4 P27487 1/20 0.34
KAT6A Q92794 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
SCHEMBL4598168 0.89 POLB (0.40) MAPTMEN1KMT2AANO1ALOX5AP
SCHEMBL4598836 0.85 ANO1 (0.38) ANO1HDAC1HDAC6TSHRLMNA
Hydrochloric Acid SCHEMBL4627575 0.84 ANO1 (0.37) ANO1HDAC1HDAC6TSHRLMNA
Hydrochloric Acid SCHEMBL4627570 0.84 ANO1 (0.37) ANO1HDAC1HDAC6TSHRLMNA
SCHEMBL4598820 0.82 ANO1 (0.39) MAPTMEN1KMT2AANO1ALOX5AP
Hydrochloric Acid SCHEMBL4657128 0.81 ANO1 (0.39) MAPTMEN1KMT2AANO1ALOX5AP
Hydrochloric Acid SCHEMBL4657131 0.81 ANO1 (0.39) MAPTMEN1KMT2AANO1ALOX5AP
SCHEMBL270014 0.80 ANO1 (0.42) MAPTMEN1KMT2AANO1ALOX5AP
SCHEMBL4598426 0.80 ANO1 (0.39) MAPTMEN1KMT2AANO1ALOX5AP
Hydrochloric Acid SCHEMBL269714 0.80 ANO1 (0.42) MAPTMEN1KMT2AANO1ALOX5AP

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 CXCR5 1760/4885MAPT 4627/4885MEN1 4711/4885

“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.