SCHEMBL20998090

SCHEMBL20998090

COC(C)(C)COC(C)(C)CCNC(=O)CC[C@H](NC(=O)[C@@H](N)CCC(=O)OC(C)(C)C)C(=O)NCCC(C)(C)OCC(C)(C)OC

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 1/20 0.33
▸ BCHE P06276 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ GLO1 Q04760 1/20 0.31
▸ PLK1 P53350 2/20 0.31
▸ NOD1 Q9Y239 1/20 0.31
▸ CCKBR P32239 1/20 0.31
▸ CTSS P25774 1/20 0.30
▸ CTSK P43235 1/20 0.30

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
SCHEMBL19505993 0.91 CAPN1 (0.33) CAPN1BCHEACHEGLO1PLK1
SCHEMBL19450704 0.89 CAPN1 (0.37) CAPN1BCHEACHEGLO1PLK1
SCHEMBL22373639 0.85 CAPN1 (0.38) CAPN1BCHEACHEGLO1PLK1
SCHEMBL30019872 0.77 NOD1 (0.47) CAPN1NOD1
SCHEMBL24235778 0.77 GLP1R (0.43) CAPN1NOD1
SCHEMBL30019912 0.76 NOD1 (0.47) CAPN1NOD1
SCHEMBL20998108 0.76 CTSK (0.41) CAPN1GLO1PLK1NOD1CTSS
SCHEMBL19506154 0.75 CTSS (0.37) CAPN1GLO1PLK1NOD1CTSS
SCHEMBL24235602 0.73 GLO1 (0.42) CAPN1GLO1NOD1CTSSCTSK
SCHEMBL25977092 0.73 TSHR (0.40) CAPN1BCHEACHECCKBR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11485792-B2 Antibodies, uses thereof and conjugates thereof POLYTHERICS LIMITED 2022-11-01 — — US disclosed
US-20190144562-A1 ANTIBODIES, USES THEREOF AND CONJUGATES THEREOF ABZENA (UK) LIMITED (GB) 2019-05-16 — — 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 (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-20190144562-A1 ANTIBODIES, USES THEREOF AND CONJUGATES THEREOF KLK3, VSIG8, IGLV6-57 CAPN1 4587/4885BCHE 1359/4885ACHE 3422/4885
US-11485792-B2 Antibodies, uses thereof and conjugates thereof KLK3, VSIG8, IGLV6-57 CAPN1 4587/4885BCHE 1359/4885ACHE 3422/4885

“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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