SCHEMBL4599072

SCHEMBL4599072

Cc1cc(F)ccc1C(=O)NC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
APEX1 P27695 1/20 0.50
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALOX5AP P20292 1/20 0.44
FEN1 P39748 1/20 0.44
NPC1 O15118 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ANO1 Q5XXA6 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL6419619 0.84 POLB (0.56) POLBAPEX1KDM4EALDH1A1SMN1; SMN2
SCHEMBL4926140 0.82 SMN1; SMN2 (0.51) POLBAPEX1KDM4EALDH1A1SMN1; SMN2
SCHEMBL6417292 0.81 POLB (0.66) POLBAPEX1ALOX5APFEN1NPC1
SCHEMBL8545915 0.81 ALOX5AP (0.49) POLBAPEX1KDM4EALDH1A1SMN1; SMN2
SCHEMBL6419670 0.81 POLB (0.56) POLBAPEX1KDM4EALDH1A1SMN1; SMN2
SCHEMBL7980249 0.80 GAA (0.48) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL28869660 0.80 HDAC1 (0.53) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL22847896 0.80 POLB (0.47) POLBAPEX1KDM4EALDH1A1SMN1; SMN2
SCHEMBL3340974 0.79 FLT1 (0.50) POLBAPEX1KDM4EALDH1A1SMN1; SMN2
SCHEMBL4597516 0.79 FLT1 (0.55) POLBAPEX1SMN1; SMN2NPC1RAB9A

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 POLB 3202/4885APEX1 4435/4885KDM4E 1630/4885

“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.