SCHEMBL22059698

SCHEMBL22059698

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 3/20 0.46
▸ CTSS P25774 6/20 0.45
▸ CTSL P07711 5/20 0.45
▸ CTSK P43235 3/20 0.45
▸ CTSB P07858 3/20 0.45
▸ CYP3A4 P08684 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MMP8 P22894 1/20 0.42
▸ MME P08473 4/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ ECE1 P42892 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ NPEPPS P55786 1/20 0.42
▸ KMT2A Q03164 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
SCHEMBL22059715 0.86 CTSS (0.47) ACECTSSCTSLCTSKCTSB
SCHEMBL22059581 0.85 CTSS (0.46) ACECTSSCTSLCTSKCTSB
SCHEMBL21503815 0.83 ACE (0.48) ACECTSSCTSLCTSKCTSB
SCHEMBL16252294 0.81 MME (0.51) ACECTSSCTSLCTSKCTSB
SCHEMBL24764551 0.81 ACE (0.56) ACECTSSCTSLCTSKCTSB
SCHEMBL24779932 0.81 CYP3A4 (0.49) CTSSCTSLCTSKCTSBCYP3A4
SCHEMBL25071073 0.80 NPC1 (0.47) ACECTSSCTSLCTSKCTSB
SCHEMBL18435144 0.79 KMT2A (0.56) CYP3A4TSHRMMP8MEN1KMT2A
SCHEMBL18435286 0.79 KMT2A (0.56) CYP3A4TSHRMMP8MEN1KMT2A
SCHEMBL30772096 0.79 ALPI (0.51) ACE

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-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 (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-20210403506-A1 PEPTIDE COMPOUND, APPLICATION THEREOF AND COMPOSITION CONTAINING SAME VIP, NGLY1, PEPD ACE 609/4885CTSS 3503/4885CTSL 1987/4885
US-20200172575-A1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND KISS1R, VIP, NPY1R ACE 1694/4885CTSS 2804/4885CTSL 1813/4885

“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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