SCHEMBL22928944

SCHEMBL22928944

CC(C)C[C@H](NC(=O)[C@H]1CCCN1)C(=O)NCC1(NCC(=O)OCc2ccccc2)CNC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 11/20 0.42
▸ CTSS P25774 6/20 0.42
▸ CTSL P07711 3/20 0.42
▸ CTSB P07858 1/20 0.42
▸ HTR2C P28335 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ CTSC P53634 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.39
▸ REN P00797 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
SCHEMBL29862892 0.88 CTSK (0.49) CTSKCTSSCTSLCTSBHTR2C
SCHEMBL21429034 0.84 DPP7 (0.35) CTSKCTSSCTSBCTSCREN
SCHEMBL22928945 0.84 DPP7 (0.35) CTSKCTSSCTSBCTSCREN
SCHEMBL6858875 0.79 CTSC (0.53) CTSKHTR2CHTR2BCTSCREN
SCHEMBL6858874 0.79 CTSC (0.53) CTSKHTR2CHTR2BCTSCREN
SCHEMBL7015789 0.79 CTSC (0.53) CTSKHTR2CHTR2BCTSCREN
SCHEMBL21430273 0.79 PTPN1 (0.49) CTSKCTSSCTSLCTSB
SCHEMBL30487486 0.74 HTR2C (0.51) CTSKCTSSCTSLCTSBHTR2C
SCHEMBL29630524 0.74 REN (0.54) CTSCREN
SCHEMBL8773302 0.73 HTR2C (0.63) HTR2CHTR2BCTSC

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-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

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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