SCHEMBL21724262

SCHEMBL21724262

C[C@H](NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 13/20 0.42
CTSK P43235 11/20 0.42
CTSL P07711 2/20 0.42
CTSB P07858 1/20 0.42
REN P00797 1/20 0.41
AKT1 P31749 1/20 0.40
PSMB10 P40306 1/20 0.40
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
CCKAR P32238 1/20 0.39
CCKBR P32239 1/20 0.39
ACE P12821 1/20 0.39

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
SCHEMBL3721657 1.00 CTSS (0.42) CTSSCTSKCTSLCTSBREN
SCHEMBL21724438 1.00 CTSS (0.42) CTSSCTSKCTSLCTSBREN
SCHEMBL30910798 0.90 REN (0.41) CTSSCTSKCTSLCTSBREN
SCHEMBL214303 0.88 ITGB3 (0.48) CTSSCTSKCTSLCTSBITGB3
SCHEMBL1133305 0.88 ITGB3 (0.48) CTSSCTSKCTSLCTSBITGB3
SCHEMBL214302 0.88 ITGB3 (0.48) CTSSCTSKCTSLCTSBITGB3
SCHEMBL15663691 0.88 CYP1A2 (0.41) CTSSCTSKCTSLCTSBREN
SCHEMBL30065429 0.88 CTSS (0.42) CTSSCTSKCTSLCTSBREN
SCHEMBL30629214 0.88 CTSS (0.42) CTSSCTSKCTSLCTSBREN
SCHEMBL30364981 0.86 KMT2A (0.44) CTSSCTSKCTSLCTSBREN

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 CTSS 653/4885CTSK 963/4885CTSL 390/4885
US-20210162057-A1 CONJUGATES AND METHODS OF USING THE SAME CD47, CD44, CD74 CTSS 653/4885CTSK 963/4885CTSL 390/4885

“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.