SCHEMBL22962231

SCHEMBL22962231

COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 3/20 0.58
▸ KLK5 Q9Y337 1/20 0.51
▸ ACE P12821 2/20 0.51
▸ DPP8 Q6V1X1 1/20 0.51
▸ DPP9 Q86TI2 1/20 0.51
▸ KMT2A Q03164 2/20 0.50
▸ CTSS P25774 2/20 0.49
▸ CTSL P07711 1/20 0.49
▸ CTSB P07858 1/20 0.49
▸ CTSK P43235 1/20 0.49
▸ SCN9A Q15858 2/20 0.49
▸ CXCR3 P49682 2/20 0.48
▸ MAPK1 P28482 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47

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
SCHEMBL27705687 1.00 HDAC8 (0.58) HDAC8KLK5ACEDPP8DPP9
SCHEMBL27705637 1.00 HDAC8 (0.58) HDAC8KLK5ACEDPP8DPP9
SCHEMBL27726211 0.92 HDAC8 (0.57) HDAC8ACEDPP8DPP9KMT2A
SCHEMBL27726210 0.92 HDAC8 (0.57) HDAC8ACEDPP8DPP9KMT2A
SCHEMBL22962224 0.92 HDAC8 (0.57) HDAC8ACEDPP8DPP9KMT2A
SCHEMBL27705646 0.87 HDAC8 (0.55) HDAC8ACECXCR3MAPK1
SCHEMBL22962366 0.87 DPP8 (0.53) HDAC8ACEDPP8DPP9KMT2A
SCHEMBL27726227 0.87 HDAC8 (0.56) HDAC8ACEDPP8DPP9CTSS
SCHEMBL27726221 0.87 HDAC8 (0.56) HDAC8ACEDPP8DPP9CTSS
SCHEMBL27726233 0.86 HDAC8 (0.45) HDAC8KLK5ACECXCR3

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-20210040150-A1 KAPPA OPIOID RECEPTOR PEPTIDE AMIDE AGONISTS YICHANG HUMANWELL PHARMACEUTICALS CO., LTD. (CN) 2021-02-11 — — US disclosed
WO-2021026492-A1 KAPPA OPIOID RECEPTOR PEPTIDE AMIDE AGONISTS Humanwell Pharmaceutical US (US) 2021-02-11 — — 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 (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-20210040150-A1 KAPPA OPIOID RECEPTOR PEPTIDE AMIDE AGONISTS OPRK1, OPRL1, OPRD1 HDAC8 3697/4885KLK5 964/4885ACE 1903/4885

“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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