SCHEMBL20816619

SCHEMBL20816619

CC(NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccccc1)C(=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP9 P14780 2/20 0.50
▸ MMP8 P22894 2/20 0.50
▸ PTPN1 P18031 2/20 0.50
▸ MMP14 P50281 1/20 0.50
▸ OPRD1 P41143 1/20 0.49
▸ HRH4 Q9H3N8 1/20 0.48
▸ MME P08473 1/20 0.47
▸ ACE P12821 1/20 0.47
▸ CPA1 P15085 1/20 0.47
▸ ACE2 Q9BYF1 1/20 0.47
▸ PSMB5 P28074 2/20 0.47
▸ LCK P06239 2/20 0.45
▸ CTSB P07858 2/20 0.44
▸ CTSL P07711 1/20 0.44
▸ CTSS P25774 1/20 0.44
▸ CTSD P07339 1/20 0.44
▸ KISS1R Q969F8 1/20 0.44
▸ CAPN1 P07384 1/20 0.43
▸ HRH1 P35367 1/20 0.43
▸ PSMB8 P28062 1/20 0.43

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
SCHEMBL20816620 1.00 MMP9 (0.50) MMP9MMP8PTPN1MMP14OPRD1
SCHEMBL20827855 0.89 PTPN1 (0.60) MMP9MMP8PTPN1MMP14CTSB
SCHEMBL20816763 0.89 MMP9 (0.47) MMP9MMP8PTPN1MMP14OPRD1
SCHEMBL20816841 0.89 MMP9 (0.47) MMP9MMP8PTPN1MMP14OPRD1
SCHEMBL20816548 0.87 FCER2 (0.56) MMP9MMP8PTPN1OPRD1MME
SCHEMBL20816656 0.87 FCER2 (0.56) MMP9MMP8PTPN1OPRD1MME
SCHEMBL20816664 0.86 PTPN1 (0.58) PTPN1MMEACECPA1ACE2
SCHEMBL20816662 0.86 PTPN1 (0.58) PTPN1MMEACECPA1ACE2
SCHEMBL20816899 0.86 PTPN1 (0.58) PTPN1MMEACECPA1ACE2
SCHEMBL20816879 0.86 PTPN1 (0.58) PTPN1MMEACECPA1ACE2

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-20190085024-A1 Alpha-Ketoamide Inhibitors Of Cysteine Proteases Phelix Therapeutics (US) 2019-03-21 — — US disclosed
US-20190085024-A1 Alpha-Ketoamide Inhibitors Of Cysteine Proteases Phelix Therapeutics (US) 2019-03-21 — — 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-20190085024-A1 Alpha-Ketoamide Inhibitors Of Cysteine Proteases CTSS, CTSB, CTSL MMP9 618/4885MMP8 238/4885PTPN1 4631/4885

“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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