SCHEMBL20835596

SCHEMBL20835596

Cc1cccc(C(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.51
PPARG P37231 9/20 0.51
PPARD Q03181 2/20 0.51
ACE P12821 1/20 0.49
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
ITGB3 P05106 1/20 0.44
ITGB1 P05556 1/20 0.44
ITGAV P06756 1/20 0.44
ITGA2B P08514 1/20 0.44
ITGB5 P18084 1/20 0.44
CTNNB1 P35222 2/20 0.44
WNT3A P56704 2/20 0.44
JAK3 P52333 1/20 0.43
BTK Q06187 1/20 0.43
IDO1 P14902 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42

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
SCHEMBL20835599 1.00 PPARA (0.51) PPARAPPARGPPARDACEALDH1A1
SCHEMBL28285332 0.90 CTNNB1 (0.45) PPARAPPARGPPARDACEALDH1A1
SCHEMBL28285330 0.90 CTNNB1 (0.45) PPARAPPARGPPARDACEALDH1A1
SCHEMBL2864878 0.88 PPARA (0.60) PPARAPPARGPPARDACEALDH1A1
SCHEMBL2864877 0.88 PPARA (0.60) PPARAPPARGPPARDACEALDH1A1
SCHEMBL20835705 0.88 PPARA (0.60) PPARAPPARGPPARDACEALDH1A1
SCHEMBL4524084 0.87 CTSS (0.52) PPARAPPARGPPARDACEITGB3
SCHEMBL4524077 0.87 CTSS (0.52) PPARAPPARGPPARDACEITGB3
SCHEMBL4521097 0.87 CTSL (0.52) PPARAPPARGPPARDACEALDH1A1
SCHEMBL4521105 0.87 CTSL (0.52) PPARAPPARGPPARDACEALDH1A1

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 4 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
CN-109476639-B Pyrrolidine derivatives 橘生药品工业股份有限公司 2021-02-26 CN 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.