SCHEMBL13422138

SCHEMBL13422138

CC(C)(C)OC(=O)N[C@@H](CCCBr)C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 10/20 0.50
▸ CTSS P25774 5/20 0.48
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA7 P43166 1/20 0.45
▸ TDP1 Q9NUW8 3/20 0.43
▸ ATM Q13315 1/20 0.43
▸ P2RY2 P41231 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ HDAC4 P56524 2/20 0.42
▸ HDAC1 Q13547 2/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ GAA P10253 1/20 0.41

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
SCHEMBL27041516 1.00 CTSK (0.50) CTSKCTSSCA1CA2CA7
SCHEMBL21096421 1.00 CTSK (0.50) CTSKCTSSCA1CA2CA7
SCHEMBL27133818 0.90 CTSK (0.46) CTSKCTSSCA1CA2CA7
SCHEMBL13422140 0.90 CTSK (0.46) CTSKCTSSCA1CA2CA7
SCHEMBL16387553 0.90 CTSK (0.46) CTSKCTSSCA1CA2CA7
SCHEMBL16546620 0.88 CTSK (0.48) CTSKCTSSCA1CA2CA7
SCHEMBL31240143 0.88 CTSK (0.48) CTSKCTSSCA1CA2CA7
SCHEMBL3378213 0.87 CTSK (0.51) CTSKCTSSCA1CA2CA7
SCHEMBL3585273 0.87 CTSK (0.51) CTSKCTSSCA1CA2CA7
SCHEMBL3570961 0.87 CTSK (0.51) CTSKCTSSCA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4720058-A2 BIFUNCTIONAL DEGRADERS AND USES THEREOF Casma Therapeutics, Inc. (US) 2026-04-08 — — EP disclosed
US-20250213705-A1 PSMA TARGETING LIGANDS AND METHODS OF USE BRIGHT PEAK THERAPEUTICS AG (CH) 2025-07-03 — — US disclosed
EP-4558513-A1 MACROCYCLIC PEPTIDES TARGETING KRAS Merck Sharp & Dohme LLC (US) 2025-05-28 — — EP disclosed
WO-2025041103-A1 PSMA TARGETING LIGANDS AND METHODS OF USE BRIGHT PEAK THERAPEUTICS AG (CH) 2025-02-27 — — WO disclosed
WO-2024249291-A2 BIFUNCTIONAL DEGRADERS AND USES THEREOF CASMA THERAPEUTICS, INC. (US) 2024-12-05 — — WO disclosed
WO-2024020159-A1 MACROCYCLIC PEPTIDES TARGETING KRAS MERCK SHARP & DOHME LLC (US) 2024-01-25 — — WO disclosed
US-9556119-B2 Process for preparing desmosine, isodesmosine, and derivatives thereof SOPHIA SCHOOL CORPORATION (JP) 2017-01-31 — — US disclosed
US-20150376127-A1 PROCESS FOR PREPARING DESMOSINE, ISODESMOSINE, AND DERIVATIVES THEREOF SOPHIA SCHOOL CORPORATION (JP) 2015-12-31 — — US disclosed
WO-2010043867-A1 PYRROLO [2, 3-D] PYRIMIDINES AS INHIBITORS OF HSP90 CHROMA THERAPEUTICS LTD (GB) 2010-04-22 — — 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 (2 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-20150376127-A1 PROCESS FOR PREPARING DESMOSINE, ISODESMOSINE, AND DERIVATIVES THEREOF SI, SMS, SRM CTSK 1451/4885CTSS 880/4885CA1 300/4885
US-20250213705-A1 PSMA TARGETING LIGANDS AND METHODS OF USE FOLH1, KLK3, PSMA2 CTSK 722/4885CTSS 491/4885CA1 635/4885

“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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