SCHEMBL22060179

SCHEMBL22060179

CCC(C)(CC)C(=O)CNC(=O)[C@H](Cc1ccccc1)NC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 6/20 0.44
▸ CTSL P07711 5/20 0.44
▸ CTSK P43235 3/20 0.44
▸ CTSB P07858 3/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ACE P12821 3/20 0.41
▸ MME P08473 3/20 0.41
▸ CPA1 P15085 1/20 0.41
▸ ACE2 Q9BYF1 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ ATM Q13315 1/20 0.40
▸ BCHE P06276 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40

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
SCHEMBL27334432 0.90 RIPK1 (0.46) CTSSCTSLCTSKCTSBL3MBTL1
SCHEMBL22059581 0.88 CTSS (0.46) CTSSCTSLCTSKCTSBACE
SCHEMBL31421920 0.85 ACE (0.56) CTSSCTSLCTSKCTSBACE
SCHEMBL24764552 0.81 ACE (0.51) CTSSCTSLCTSKCTSBACE
SCHEMBL22059715 0.76 CTSS (0.47) CTSSCTSLCTSKCTSBL3MBTL1
SCHEMBL2622217 0.76 NPSR1 (0.55) L3MBTL1ACEMMECPA1ACE2
SCHEMBL1061398 0.76 NPSR1 (0.55) L3MBTL1ACEMMECPA1ACE2
SCHEMBL9223334 0.76 NPSR1 (0.55) L3MBTL1ACEMMECPA1ACE2
SCHEMBL24764799 0.75 MME (0.61) L3MBTL1ACEMMECPA1ACE2
SCHEMBL24764795 0.75 MME (0.61) L3MBTL1ACEMMECPA1ACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20200172575-A1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND KISS1R, VIP, NPY1R CTSS 2804/4885CTSL 1813/4885CTSK 1962/4885

“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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