SCHEMBL20835705

SCHEMBL20835705

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
SCHEMBL2864877 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10995084-B2 Pyrrolidine derivative KISSEI PHARMACEUTICAL CO., LTD. (JP) 2021-05-04 US disclosed
US-20200299273-A1 PYRROLIDINE DERIVATIVE KISSEI PHARMACEUTICAL CO., LTD. (JP) 2020-09-24 US disclosed
EP-3459941-A1 PYRROLIDINE DERIVATIVE Kissei Pharmaceutical Co., Ltd. (JP) 2019-03-27 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-20200299273-A1 PYRROLIDINE DERIVATIVE CALCRL, NPY1R, GRPR PPARA 2471/4885PPARG 2287/4885PPARD 1412/4885
US-10995084-B2 Pyrrolidine derivative CALCRL, NPY1R, GRPR PPARA 2471/4885PPARG 2287/4885PPARD 1412/4885

“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.