SCHEMBL30097101

SCHEMBL30097101

CN(C(=O)OC(C)(C)C)C1(C)COCCC1O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ASGR1 P07306 1/20 0.36
▸ CTSD P07339 1/20 0.34
▸ CTSL P07711 1/20 0.34
▸ CTSB P07858 1/20 0.34
▸ CTSS P25774 1/20 0.34
▸ RECQL P46063 1/20 0.31
▸ USP2 O75604 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL27029139 0.79 — —
SCHEMBL18196979 0.71 ASGR1 (0.38) ASGR1CTSDCTSLCTSBCTSS
SCHEMBL24204261 0.69 CHRM2 (0.37) ASGR1
SCHEMBL27029323 0.69 ASGR1 (0.33) ASGR1CTSDCTSLCTSBCTSS
SCHEMBL23906171 0.67 ASGR1 (0.35) ASGR1
SCHEMBL24937070 0.67 USP2 (0.36) ASGR1CTSDCTSLCTSBCTSS
SCHEMBL224478 0.67 HSD11B1 (0.42) ASGR1CTSDCTSLCTSBCTSS
SCHEMBL24937071 0.67 USP2 (0.36) ASGR1CTSDCTSLCTSBCTSS
SCHEMBL25075599 0.67 HDAC6 (0.33) ASGR1CTSDCTSLCTSBCTSS
SCHEMBL24937073 0.67 ASGR1 (0.36) ASGR1CTSDCTSLCTSBCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4574214-A2 CYCLIC COMPOUNDS AND METHODS OF USING SAME Schrödinger, Inc. (US) 2025-06-25 — — EP disclosed
EP-4308573-B1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHROEDINGER INC (US) 2025-05-07 — — EP disclosed
US-20240199634-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. 2024-06-20 — — US disclosed
EP-4308573-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME Schrödinger, Inc. (US) 2024-01-24 — — EP disclosed
CN-117120447-A Cyclic compounds and methods of use thereof 薛定谔公司 2023-11-24 — — CN disclosed
WO-2022197898-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. (US) 2022-09-22 — — 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-20240199634-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME PLK1, DCK, CSNK1A1 ASGR1 2411/4885CTSD 2316/4885CTSL 1474/4885

“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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