SCHEMBL4599083

SCHEMBL4599083

Cc1ccc(C)c(C(=O)NC(C)(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
ABCB1 P08183 1/20 0.48
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 2/20 0.45
APEX1 P27695 1/20 0.45
SYK P43405 2/20 0.44
CYP2C19 P33261 1/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL4926140 0.85 SMN1; SMN2 (0.51) SMN1; SMN2KMT2APOLBAPEX1SYK
SCHEMBL9121815 0.83 SMN1; SMN2 (0.48) SMN1; SMN2ABCB1HSD17B10MEN1KMT2A
SCHEMBL13152438 0.82 MAPT (0.47) SMN1; SMN2POLBAPEX1SYKCYP2C19
SCHEMBL12121090 0.82 POLB (0.54) POLBAPEX1SYKCYP2C19MAOA
SCHEMBL6740652 0.82 POLB (0.42) MEN1KMT2APOLBAPEX1SYK
SCHEMBL16142876 0.82 NPC1 (0.45) SMN1; SMN2MEN1KMT2APOLBAPEX1
SCHEMBL4658372 0.82 POLB (0.50) MEN1KMT2APOLBAPEX1
SCHEMBL13377342 0.82 POLB (0.42) SMN1; SMN2MEN1KMT2APOLBAPEX1
SCHEMBL28371006 0.81 KCNMA1 (0.48) SMN1; SMN2HSD17B10MEN1KMT2APOLB
SCHEMBL16261170 0.79 POLB (0.42) SMN1; SMN2MEN1KMT2APOLBAPEX1

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 15 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
US-20050038019-A1 Hydroxy substituted amides for the treatment of alzheimer's disease PHARMACIA & UPJOHN 2005-02-17 US disclosed
US-5719287-A Intermediates for inhibitors of HIV protease and method of preparation thereof ELI LILLY AND COMPANY (US) 1998-02-17 US disclosed
US-5508407-A TREATING OR PREVENTING INFECTION BY HIV ELI LILLY AND COMPANY (US) 1996-04-16 US disclosed
EP-0526009-A1 Inhibitors of hiv protease useful for the treatment of aids ELI LILLY AND COMPANY (US) 1993-02-03 EP 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 (2 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 SMN1; SMN2 3850/4885ABCB1 81/4885HSD17B10 147/4885
US-20050038019-A1 Hydroxy substituted amides for the treatment of alzheimer's disease BACE1, APP, BACE2 SMN1; SMN2 2033/4885ABCB1 1304/4885HSD17B10 66/4885

“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.