SCHEMBL28514045

SCHEMBL28514045

CC(C)(C)OC(=O)N[C@@H](CCC(=O)c1ccc(OCc2ccccc2)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.50
CTSK P43235 2/20 0.50
BCL2 P10415 1/20 0.50
LTA4H P09960 1/20 0.50
PTPN1 P18031 2/20 0.49
PPARA Q07869 5/20 0.48
PPARG P37231 4/20 0.48
SYK P43405 1/20 0.47
CTSS P25774 2/20 0.47
PPARD Q03181 2/20 0.46
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
MAOB P27338 1/20 0.45
KLK7 P49862 2/20 0.45
KLK5 Q9Y337 1/20 0.45

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
SCHEMBL28514047 1.00 EGFR (0.50) EGFRCTSKBCL2LTA4HPTPN1
SCHEMBL20876893 0.95 LTA4H (0.53) EGFRCTSKBCL2LTA4HPTPN1
SCHEMBL22362633 0.95 LTA4H (0.53) EGFRCTSKBCL2LTA4HPTPN1
SCHEMBL483535 0.94 ALDH1A1 (0.52) EGFRCTSKBCL2LTA4HPTPN1
SCHEMBL311817 0.94 EGFR (0.50) EGFRCTSKBCL2LTA4HPTPN1
SCHEMBL22546606 0.94 EGFR (0.50) EGFRCTSKBCL2LTA4HPTPN1
SCHEMBL483762 0.94 EGFR (0.50) EGFRCTSKBCL2LTA4HPTPN1
SCHEMBL20876849 0.92 PPARA (0.55) EGFRCTSKBCL2LTA4HPTPN1
SCHEMBL2714607 0.92 PPARA (0.55) EGFRCTSKBCL2LTA4HPTPN1
SCHEMBL2727271 0.92 PPARA (0.55) EGFRCTSKBCL2LTA4HPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220356154-A1 PROCESS FOR PREPARING ALPHA-CARBOXAMIDE PYRROLIDINE DERIVATIVES BIOGEN INC. 2022-11-10 US disclosed
CN-112153968-A Process for the preparation of alpha-carboxamide pyrrolidine derivatives 生物基因公司 2020-12-29 CN 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 (1 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-20220356154-A1 PROCESS FOR PREPARING ALPHA-CARBOXAMIDE PYRROLIDINE DERIVATIVES CPS1, PDF, PCCA EGFR 3575/4885CTSK 698/4885BCL2 2674/4885

“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.