SCHEMBL22975025

SCHEMBL22975025

CC(C)CCOC(=O)[C@@H](CN)NC(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 11/20 0.56
▸ CTSS P25774 4/20 0.53
▸ CTSL P07711 3/20 0.53
▸ CTSB P07858 3/20 0.53
▸ ATM Q13315 1/20 0.49
▸ ITGB3 P05106 4/20 0.48
▸ ITGA2B P08514 4/20 0.48

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
SCHEMBL28698426 1.00 CTSK (0.56) CTSKCTSSCTSLCTSBATM
Hydrochloric Acid SCHEMBL28700752 0.99 CTSK (0.55) CTSKCTSSCTSLCTSBATM
Hydrochloric Acid SCHEMBL29367732 0.99 CTSK (0.55) CTSKCTSSCTSLCTSBATM
SCHEMBL29604402 0.87 CTSK (0.58) CTSKCTSSCTSLCTSBATM
SCHEMBL29365506 0.87 CTSS (0.53) CTSKCTSSCTSLCTSBITGB3
SCHEMBL28682040 0.87 CTSS (0.53) CTSKCTSSCTSLCTSBITGB3
SCHEMBL29017554 0.87 CTSK (0.56) CTSKCTSSCTSLCTSBITGB3
SCHEMBL30437751 0.87 CTSK (0.56) CTSKCTSSCTSLCTSBITGB3
SCHEMBL29521405 0.87 CTSK (0.56) CTSKCTSSCTSLCTSBITGB3
SCHEMBL22975081 0.86 KYNU (0.54) CTSKCTSSCTSLCTSBITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220213117-A1 PRODRUGS OF MODULATORS OF THE NMDA RECEPTOR H. LUNDBECK A/S (DK) 2022-07-07 — — US disclosed
WO-2022129041-A1 PRODRUGS OF 3-BENZOAMIDO-2-AMINOPROPIONIC ACID DERIVATIVES AS MODULATORS OF THE NMDA RECEPTOR H. LUNDBECK A/S (DK) 2022-06-23 — — WO disclosed
US-11358971-B2 Prodrugs of modulators of the NMDA receptor H. LUNDBECK A/S (DK) 2022-06-14 — — US disclosed
CN-114008053-A Prodrugs of NMDA receptor modulators H.隆德贝克有限公司 2022-02-01 — — CN disclosed
US-20210047342-A1 PRODRUGS OF MODULATORS OF THE NMDA RECEPTOR H. LUNDBECK A/S (DK) 2021-02-18 — — 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 (3 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-11358971-B2 Prodrugs of modulators of the NMDA receptor GRIN3A, GRIN1, GRIN2A CTSK 3494/4885CTSS 3324/4885CTSL 3131/4885
US-20210047342-A1 PRODRUGS OF MODULATORS OF THE NMDA RECEPTOR GRIN3A, GRIN1, GRIN2A CTSK 3494/4885CTSS 3324/4885CTSL 3131/4885
US-20220213117-A1 PRODRUGS OF MODULATORS OF THE NMDA RECEPTOR GRIN3A, GRIN1, GRIN2A CTSK 3494/4885CTSS 3324/4885CTSL 3131/4885

“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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