SCHEMBL21724645

SCHEMBL21724645

CC(C)CC(NC(=O)C(CC(N)=O)NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 2/20 0.55
▸ CTSB P07858 1/20 0.55
▸ CTSS P25774 1/20 0.55
▸ CTSK P43235 1/20 0.55
▸ BACE1 P56817 8/20 0.51
▸ REN P00797 3/20 0.51
▸ CAPN1 P07384 1/20 0.49
▸ FOLH1 Q04609 3/20 0.45

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
SCHEMBL21724644 1.00 CTSL (0.55) CTSLCTSBCTSSCTSKBACE1
SCHEMBL3493240 0.93 BACE1 (0.52) CTSLCTSBCTSSCTSKBACE1
SCHEMBL27350811 0.89 CTSL (0.68) CTSLCTSBCTSSCTSKREN
SCHEMBL4576781 0.89 CTSL (0.68) CTSLCTSBCTSSCTSKREN
SCHEMBL7392267 0.89 CTSL (0.68) CTSLCTSBCTSSCTSKREN
SCHEMBL25977614 0.89 CTSL (0.68) CTSLCTSBCTSSCTSKREN
SCHEMBL30910744 0.88 CTSL (0.51) CTSLCTSBCTSSCTSKBACE1
SCHEMBL5072619 0.86 CTSS (0.44) CTSLCTSBCTSSCTSKBACE1
SCHEMBL30096350 0.86 ECE1 (0.46) CTSLCTSBCTSSCTSKBACE1
Aminomethylamide SCHEMBL9737800 0.86 CTSL (0.57) CTSLCTSBCTSSCTSKREN

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 CTSL 390/4885CTSB 823/4885CTSS 653/4885
US-20210162057-A1 CONJUGATES AND METHODS OF USING THE SAME CD47, CD44, CD74 CTSL 390/4885CTSB 823/4885CTSS 653/4885

“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.

Send feedback