SCHEMBL23056574

SCHEMBL23056574

C=NCC(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)SSC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 10/20 0.39
▸ PPARG P37231 9/20 0.39
▸ CTSS P25774 5/20 0.38
▸ CTSK P43235 5/20 0.38
▸ CTSL P07711 1/20 0.38
▸ CTSB P07858 1/20 0.38
▸ PPARD Q03181 2/20 0.38
▸ ACE P12821 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ CAPN1 P07384 1/20 0.34
▸ IDO1 P14902 1/20 0.34

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
SCHEMBL23056600 0.90 CYP1A2 (0.38) PPARAPPARGCTSSCTSKCTSL
SCHEMBL23056299 0.89 PPARA (0.40) PPARAPPARGCTSSCTSKCTSL
SCHEMBL16310609 0.89 PPARA (0.42) PPARAPPARGCTSSCTSKCTSL
SCHEMBL16289575 0.85 PPARA (0.38) PPARAPPARGCTSSCTSKCTSL
SCHEMBL16289576 0.85 PPARA (0.38) PPARAPPARGCTSSCTSKCTSL
SCHEMBL16289577 0.85 PPARA (0.38) PPARAPPARGCTSSCTSKCTSL
SCHEMBL23056456 0.83 CTSS (0.41) CTSSCTSKCTSLCTSBCYP1A2
SCHEMBL29539768 0.79 CTSK (0.46) PPARAPPARGCTSSCTSKCTSL
SCHEMBL15083192 0.79 CYP1A2 (0.38) PPARAPPARGCTSSCTSKCTSL
SCHEMBL23056579 0.79 CYP1A2 (0.38) PPARAPPARGCTSSCTSKCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210061860-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2021-03-04 — — 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 (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-20210061860-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD VIP, NGLY1, GLP1R PPARA 3215/4885PPARG 3973/4885CTSS 273/4885

“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.

Send feedback