SCHEMBL4598820

SCHEMBL4598820

Cc1ccc(C[C@H](O)[C@H](N)Cc2ccccc2F)c(C(=O)NC(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 2/20 0.39
SYK P43405 1/20 0.39
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
HDAC1 Q13547 5/20 0.37
HDAC6 Q9UBN7 5/20 0.37
POLB P06746 2/20 0.36
APEX1 P27695 1/20 0.36
KMT2A Q03164 2/20 0.36
DPP4 P27487 1/20 0.36
PSMB8 P28062 2/20 0.35
PSMB5 P28074 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC2 Q92769 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
P2RY14 Q15391 1/20 0.34
MAPT P10636 2/20 0.34
RIPK1 Q13546 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 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
Hydrochloric Acid SCHEMBL4657128 0.99 ANO1 (0.39) ANO1SYKALOX5APFEN1HDAC1
Hydrochloric Acid SCHEMBL4657131 0.99 ANO1 (0.39) ANO1SYKALOX5APFEN1HDAC1
SCHEMBL4611099 0.90 ANO1 (0.42) ANO1ALOX5APFEN1POLBAPEX1
SCHEMBL4611104 0.90 ANO1 (0.42) ANO1ALOX5APFEN1POLBAPEX1
Hydrochloric Acid SCHEMBL4919638 0.89 ANO1 (0.41) ANO1ALOX5APFEN1POLBAPEX1
SCHEMBL4598426 0.85 ANO1 (0.39) ANO1ALOX5APFEN1HDAC1HDAC6
SCHEMBL4926663 0.85 CTSS (0.45) ANO1SYKMAPT
SCHEMBL4926670 0.85 CTSS (0.45) ANO1SYKMAPT
Hydrochloric Acid SCHEMBL4610573 0.84 ANO1 (0.39) ANO1ALOX5APFEN1HDAC1HDAC6
SCHEMBL4598282 0.82 CXCR5 (0.40) ANO1ALOX5APFEN1HDAC1HDAC6

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 11 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
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-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-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
US-20080221217-A1 Phenyl Compounds and Their Use in the Treatment of Type II Diabetes ELI LILLY AND COMPANY 2008-09-11 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
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 ANO1 3628/4885SYK 4014/4885ALOX5AP 2773/4885

“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.