SCHEMBL21724277

SCHEMBL21724277

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

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 10/20 0.52
▸ CTSS P25774 3/20 0.49
▸ CTSK P43235 3/20 0.49
▸ CTSL P07711 1/20 0.44
▸ CTSB P07858 1/20 0.44
▸ TSHR P16473 1/20 0.43
▸ REN P00797 1/20 0.43
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ECE1 P42892 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42

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
SCHEMBL21724279 1.00 BACE1 (0.52) BACE1CTSSCTSKCTSLCTSB
SCHEMBL30910781 0.88 BACE1 (0.49) BACE1CTSSCTSKREN
SCHEMBL21724228 0.86 BACE1 (0.51) BACE1CTSSCTSKCTSLCTSB
SCHEMBL21724565 0.86 BACE1 (0.51) BACE1CTSSCTSKCTSLCTSB
SCHEMBL9980636 0.86 BACE1 (0.51) BACE1CTSSCTSKCTSLCTSB
SCHEMBL21724562 0.86 BACE1 (0.51) BACE1CTSSCTSKCTSLCTSB
Hydrochloric Acid SCHEMBL21724538 0.85 BACE1 (0.50) BACE1CTSSCTSKCTSLCTSB
Hydrochloric Acid SCHEMBL21724540 0.85 BACE1 (0.50) BACE1CTSSCTSKCTSLCTSB
SCHEMBL10707184 0.83 CTSL (0.63) CTSSCTSKCTSLCTSBTSHR
SCHEMBL21724645 0.83 CTSL (0.55) BACE1CTSSCTSKCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11998610-B2 Conjugates and methods of using the same FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2024-06-04 — — US disclosed
EP-3836971-A1 CONJUGATES AND METHODS OF USING THE SAME Flagship Pioneering Innovations V, Inc. (US) 2021-06-23 — — EP disclosed
US-20210162057-A1 CONJUGATES AND METHODS OF USING THE SAME FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-06-03 — — US disclosed
WO-2020037009-A1 CONJUGATES AND METHODS OF USING THE SAME FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2020-02-20 — — 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-11998610-B2 Conjugates and methods of using the same CD47, CD44, CD74 BACE1 4427/4885CTSS 653/4885CTSK 963/4885
US-20210162057-A1 CONJUGATES AND METHODS OF USING THE SAME CD47, CD44, CD74 BACE1 4427/4885CTSS 653/4885CTSK 963/4885

“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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