SCHEMBL1519829

SCHEMBL1519829

CC(C)(C)OC(=O)C(c1ccc(F)cc1)C(N)CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.40
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
LMNA P02545 2/20 0.35
HPGD P15428 1/20 0.35
GAA P10253 1/20 0.35
APP P05067 1/20 0.35
DPP4 P27487 4/20 0.35
DPP7 Q9UHL4 3/20 0.35
HTT P42858 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
AAK1 Q2M2I8 1/20 0.34
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL1519893 0.88 FFAR1 (0.39) FFAR1LMNACYP2C19
SCHEMBL1519634 0.87 APP (0.44) FFAR1GAAAPPDPP4DPP7
SCHEMBL1519753 0.87 FFAR1 (0.44) FFAR1
SCHEMBL5558097 0.86 CYP2C9 (0.47) FFAR1LMNAGAAAPPMEN1
SCHEMBL2878286 0.86 CTSS (0.36) CTSSCTSKALDH1A1MAPTCYP1A2
SCHEMBL6597704 0.84 KCNA5 (0.36) FFAR1LMNAHPGDALDH1A1AAK1
SCHEMBL17513198 0.82 FFAR1 (0.41) FFAR1CTSSCTSKLMNAHPGD
SCHEMBL1519892 0.82 FFAR1 (0.42) FFAR1LMNAAPPHTTALDH1A1
SCHEMBL4923610 0.79 AAK1 (0.38) CTSSCTSKGAAAAK1MEN1
SCHEMBL1519857 0.78 MEN1 (0.40) FFAR1HPGDALDH1A1MEN1KMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2487154-A1 Pyrrolidinyl beta-amino amide-based inhibitors of dipeptidyl peptidase IV and methods Bristol-Myers Squibb Company (US) 2012-08-15 EP disclosed
US-7897619-B2 Heterocyclic modulators of PKB AMGEN INC. (US) 2011-03-01 US disclosed
EP-2173728-A2 HETEROCYCLIC MODULATORS OF PKB Amgen Inc. (US) 2010-04-14 EP disclosed
US-20090275592-A1 Heterocyclic modulators of PKB AMGEN INC. (US) 2009-11-05 US disclosed
US-7488725-B2 Pyrrolidinyl beta-amino amide-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB CO. (US) 2009-02-10 US disclosed
WO-2009011880-A2 HETEROCYCLIC MODULATORS OF PKB AMGEN INC. (US) 2009-01-22 WO disclosed
EP-1943215-A2 PYRROLIDINYL BETA-AMINO AMIDE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS Brystol-Myers Squibb Company (US) 2008-07-16 EP disclosed
WO-2007053819-A2 PYRROLIDINYL BETA-AMINO AMIDE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-10 WO disclosed
US-20070099913-A1 To treat diabetes, especially type II diabetes including complications of diabetes; synergistic BRISTOL-MYERS SQUIBB COMPANY 2007-05-03 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 (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-20090275592-A1 Heterocyclic modulators of PKB MTOR, PDK1, EIF4EBP1 FFAR1 785/4885CTSS 3165/4885CTSK 2241/4885
US-20070099913-A1 To treat diabetes, especially type II diabetes including complications of diabetes; synergistic GLP1R, GPR119, SLC5A2 FFAR1 360/4885CTSS 3269/4885CTSK 2313/4885

“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.