SCHEMBL22059581

SCHEMBL22059581

CC(C)(C)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 7/20 0.46
▸ CTSL P07711 6/20 0.46
▸ CTSK P43235 4/20 0.46
▸ CTSB P07858 4/20 0.46
▸ ACE P12821 3/20 0.44
▸ ATM Q13315 1/20 0.43
▸ MME P08473 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ ECE1 P42892 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ NPEPPS P55786 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ THRB P10828 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42

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
SCHEMBL31421920 0.89 ACE (0.56) CTSSCTSLCTSKCTSBACE
SCHEMBL22060179 0.88 CTSS (0.44) CTSSCTSLCTSKCTSBACE
SCHEMBL27334432 0.88 RIPK1 (0.46) CTSSCTSLCTSKCTSBACE
SCHEMBL22059715 0.87 CTSS (0.47) CTSSCTSLCTSKCTSBACE
SCHEMBL22059698 0.85 ACE (0.46) CTSSCTSLCTSKCTSBACE
SCHEMBL24764552 0.84 ACE (0.51) CTSSCTSLCTSKCTSBACE
SCHEMBL30772096 0.80 ALPI (0.51) ACE
SCHEMBL12250715 0.79 MAPT (0.49) CTSSACEATMMMEALDH1A1
SCHEMBL685455 0.79 MAPT (0.49) CTSSACEATMMMEALDH1A1
SCHEMBL12250729 0.79 MAPT (0.49) CTSSACEATMMMEALDH1A1

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-20240209023-A1 PEPTIDE COMPOUND, APPLICATION THEREOF AND COMPOSITION CONTAINING SAME XDCEXPLORER (SHANGHAI) CO., LTD. (CN) 2024-06-27 — — US disclosed
US-20210403506-A1 PEPTIDE COMPOUND, APPLICATION THEREOF AND COMPOSITION CONTAINING SAME XDCEXPLORER (SHANGHAI) CO., LTD. (CN) 2021-12-30 — — US disclosed
US-20200172575-A1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND XDCEXPLORER (SHANGHAI) CO., LTD. (CN) 2020-06-04 — — 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 (3 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-20210403506-A1 PEPTIDE COMPOUND, APPLICATION THEREOF AND COMPOSITION CONTAINING SAME VIP, NGLY1, PEPD CTSS 3503/4885CTSL 1987/4885CTSK 2610/4885
US-20200172575-A1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND KISS1R, VIP, NPY1R CTSS 2804/4885CTSL 1813/4885CTSK 1962/4885
US-20240209023-A1 PEPTIDE COMPOUND, APPLICATION THEREOF AND COMPOSITION CONTAINING SAME VIP, NGLY1, FURIN CTSS 1347/4885CTSL 353/4885CTSK 958/4885

“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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