SCHEMBL24917023

SCHEMBL24917023

CC(C)(C)OC(=O)N[C@H](C(=O)O[C@@H]1[C@@H](COC(=O)Cc2ccccc2)C[C@@](C#N)(c2ccc3c(N)ncnn23)[C@@H]1O)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 2/20 0.31
▸ RIPK1 Q13546 1/20 0.31
▸ CTSS P25774 2/20 0.30
▸ CTSB P07858 1/20 0.30
▸ CTSK P43235 1/20 0.30
▸ CTRB1 P17538 2/20 0.30
▸ JAK2 O60674 1/20 0.30
▸ JAK1 P23458 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
SCHEMBL24917024 0.88 — —
SCHEMBL24917042 0.88 EGLN2 (0.30) —
SCHEMBL25924643 0.85 TMPRSS2 (0.36) CTSLCTSSCTSBCTSK
SCHEMBL24916982 0.84 CTSS (0.31) CTSSCTSK
SCHEMBL24917868 0.84 CTSS (0.31) CTSSCTSK
SCHEMBL24916997 0.84 EGLN2 (0.33) —
SCHEMBL24916983 0.84 EGLN2 (0.33) —
SCHEMBL24917053 0.81 REN (0.38) CTSLCTSSCTSBCTSK
SCHEMBL24917245 0.81 CTSK (0.31) CTSLCTSSCTSBCTSK
SCHEMBL24917025 0.81 RIPK1 (0.34) RIPK1

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-20230024722-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS VenatoRx Pharmaceuticals, Inc. 2023-01-26 — — 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-20230024722-A1 ORALLY-BIOAVAILABLE NUCLEOSIDE ANALOGS SLC29A2, SLC29A1, PNP CTSL 653/4885RIPK1 2571/4885CTSS 1351/4885

“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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