SCHEMBL2864877

SCHEMBL2864877

CC(C)(C)OC(=O)N[C@@H](CCC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.60
PPARG P37231 9/20 0.60
PPARD Q03181 2/20 0.60
ACE P12821 1/20 0.55
JAK3 P52333 1/20 0.53
BTK Q06187 1/20 0.53
CTSK P43235 5/20 0.52
CTSS P25774 3/20 0.52
IDO1 P14902 1/20 0.49
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48

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
SCHEMBL2864878 1.00 PPARA (0.60) PPARAPPARGPPARDACEJAK3
SCHEMBL20835705 1.00 PPARA (0.60) PPARAPPARGPPARDACEJAK3
SCHEMBL20117226 0.90 JAK3 (0.53) PPARAPPARGPPARDACEJAK3
SCHEMBL4502068 0.88 PPARA (0.64) PPARAPPARGPPARDACECTSK
SCHEMBL4502065 0.88 PPARA (0.64) PPARAPPARGPPARDACECTSK
SCHEMBL20835599 0.88 PPARA (0.51) PPARAPPARGPPARDACEJAK3
SCHEMBL20835596 0.88 PPARA (0.51) PPARAPPARGPPARDACEJAK3
SCHEMBL28286840 0.87 ALDH1A1 (0.58) PPARAPPARGPPARDACEJAK3
SCHEMBL28286842 0.87 ALDH1A1 (0.58) PPARAPPARGPPARDACEJAK3
SCHEMBL7810192 0.87 PPARA (0.58) PPARAPPARGPPARDACEJAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108529-A1 PROTEASE INHIBITORS AMPLYX PHARMACEUTICALS, INC. 2012-05-03 US disclosed
US-7750162-B2 Process for preparation of nonnatural amino acid and intermediate thereof DAISO CO., LTD. (JP) 2010-07-06 US disclosed
US-20070208180-A1 Process for Preparation of Nonnatural Amino Acid and Intermediate Thereof DAISO CO., LTD. (JP) 2007-09-06 US disclosed
EP-1739077-A1 PROCESS FOR PRODUCTION OF NONNATURAL AMINO ACIDS AND INTERMEDIATES THEREFOR DAISO CO., LTD. (JP) 2007-01-03 EP disclosed
US-5624939-A N-acyl pyrrolidines and drugs for the treatment or prevention of cholecystokinin and gastrin-related disorders RHONE-POULENC RORER, S.A. (FR) 1997-04-29 US disclosed
US-5610144-A CHOLECYSTOKININ OR GASTRIN ANTAGONISTS; NERVOUS SYSTEM AND GASTROINTESTINAL DISORDERS RHONE-POULENC RORER S.A. (FR) 1997-03-11 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-20070208180-A1 Process for Preparation of Nonnatural Amino Acid and Intermediate Thereof BCAT1, BCAT2, AADAT PPARA 2299/4885PPARG 2831/4885PPARD 3164/4885
US-20120108529-A1 PROTEASE INHIBITORS SERPINB1, PREP, DNPEP PPARA 4049/4885PPARG 4499/4885PPARD 3957/4885

“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.