SCHEMBL30140832

SCHEMBL30140832

COC(=O)[C@H](CC(C)(C)C)NC(=O)C(=O)NC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.33
▸ IMPDH2 P12268 1/20 0.33
▸ IMPDH1 P20839 1/20 0.33
▸ GRN P28799 1/20 0.32
▸ SORT1 Q99523 1/20 0.32
▸ ALPL P05186 1/20 0.32
▸ ALPI P09923 1/20 0.32
▸ ALPG P10696 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ CTSL P07711 1/20 0.32
▸ CTSB P07858 1/20 0.32
▸ CTSS P25774 1/20 0.32
▸ RAB9A P51151 1/20 0.31
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30

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
SCHEMBL30233324 0.82 GRN (0.46) TGFBR1ALDH1A1GRNSORT1ALPL
SCHEMBL23730611 0.78 SMN1; SMN2 (0.39) TGFBR1ALDH1A1GRNSORT1CTSL
SCHEMBL13878788 0.74 CA14 (0.41) ALDH1A1IMPDH2IMPDH1POLB
SCHEMBL4224895 0.74 CA14 (0.41) ALDH1A1IMPDH2IMPDH1POLB
SCHEMBL16406515 0.74 CA2 (0.34) TGFBR1ALDH1A1GRNSORT1POLB
SCHEMBL3049273 0.74 CTSK (0.47) CTSLCTSBCTSSCA1CA2
SCHEMBL17070598 0.74 CTSS (0.40) ALDH1A1CTSLCTSBCTSSCA1
SCHEMBL2367410 0.74 CTSK (0.47) CTSLCTSBCTSSCA1CA2
SCHEMBL20739435 0.74 CA1 (0.35) TGFBR1GRNSORT1POLBCTSL
SCHEMBL27695095 0.69 TSHR (0.35) GRNSORT1CTSLCTSBCTSS

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-20230033285-A1 Protease Inhibitors for Treatment of Coronavirus Infections THE SCRIPPS RESEARCH INSTITUTE 2023-02-02 — — US disclosed
WO-2022266363-A1 PROTEASE INHIBITORS FOR THE TREATMENT OF CORONAVIRUS INFECTIONS THE SCRIPPS RESEARCH INSTITUTE (US) 2022-12-22 — — WO 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-20230033285-A1 Protease Inhibitors for Treatment of Coronavirus Infections ACE, ACE2, TMPRSS2 TGFBR1 2418/4885ALDH1A1 3177/4885IMPDH2 3286/4885

“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.

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