SCHEMBL21428944

SCHEMBL21428944

CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(NCC(=O)OCc2ccccc2)COC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 14/20 0.50
▸ CTSS P25774 7/20 0.50
▸ CTSL P07711 5/20 0.50
▸ CTSB P07858 2/20 0.50
▸ POLB P06746 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ CAPN1 P07384 1/20 0.45
▸ CAPN2 P17655 1/20 0.45
▸ KLK7 P49862 1/20 0.45
▸ KLK5 Q9Y337 1/20 0.45
▸ REN P00797 1/20 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
SCHEMBL21885556 0.86 CTSK (0.63) CTSKCTSSCTSLCTSBPOLB
SCHEMBL18154376 0.86 CTSK (0.63) CTSKCTSSCTSLCTSBPOLB
SCHEMBL21428920 0.82 CTSK (0.58) CTSKCTSSCTSLCTSBPOLB
SCHEMBL23446167 0.81 REN (0.64) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL9038435 0.80 CTSK (0.61) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL10904441 0.78 CTSK (0.69) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL21430242 0.77 CYP1A2 (0.46) CTSKCTSSCTSLCTSBPOLB
SCHEMBL11033975 0.76 CTSS (0.58) CTSKCTSSCTSLCTSBKLK7
SCHEMBL11123304 0.76 CTSS (0.69) CTSKCTSSCTSLCTSB
SCHEMBL25283632 0.76 CTSK (0.76) CTSKCTSSCTSLCTSBREN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11713339-B2 Macrocyclization of peptidomimetics UNIVERSITY OF WARWICK (GB) 2023-08-01 — — US disclosed
US-20210024579-A1 MACROCYCLIZATION OF PEPTIDOMIMETICS UNIVERSITY OF WARWICK (GB) 2021-01-28 — — US disclosed
WO-2019186174-A1 MACROCYCLIZATION OF PEPTIDOMIMETICS UNIVERSITY OF WARWICK (GB) 2019-10-03 — — 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-20210024579-A1 MACROCYCLIZATION OF PEPTIDOMIMETICS NGLY1, MAX, VIP CTSK 1350/4885CTSS 1471/4885CTSL 769/4885
US-11713339-B2 Macrocyclization of peptidomimetics NGLY1, MAX, PTMA CTSK 528/4885CTSS 666/4885CTSL 174/4885

“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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