SCHEMBL20816569

SCHEMBL20816569

CC(NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1cccc(F)c1)C(=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.43
▸ CTSL P07711 3/20 0.41
▸ CTSS P25774 2/20 0.41
▸ CTSB P07858 1/20 0.41
▸ CTSK P43235 1/20 0.41
▸ FFAR2 O15552 1/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ MMP9 P14780 1/20 0.39
▸ MMP8 P22894 1/20 0.39
▸ MMP14 P50281 1/20 0.39
▸ REN P00797 1/20 0.39
▸ PSEN1 P49768 3/20 0.38
▸ PSEN2 P49810 3/20 0.38
▸ APH1B Q8WW43 3/20 0.38
▸ NCSTN Q92542 3/20 0.38
▸ APH1A Q96BI3 3/20 0.38
▸ PSENEN Q9NZ42 3/20 0.38
▸ PSMB5 P28074 2/20 0.38
▸ OPRD1 P41143 2/20 0.37
▸ GPR34 Q9UPC5 1/20 0.37

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
SCHEMBL20816570 1.00 PTPN1 (0.43) PTPN1CTSLCTSSCTSBCTSK
SCHEMBL20816622 0.97 PTPN1 (0.44) PTPN1CTSLCTSSCTSBCTSK
SCHEMBL20816553 0.97 PTPN1 (0.44) PTPN1CTSLCTSSCTSBCTSK
SCHEMBL20816725 0.92 PTPN1 (0.48) PTPN1CTSLCTSSCTSBCNR2
SCHEMBL20816638 0.92 PTPN1 (0.48) PTPN1CTSLCTSSCTSBCNR2
SCHEMBL20816635 0.92 CTSL (0.49) PTPN1CTSLCTSSCTSBMMP9
SCHEMBL20816948 0.92 CTSL (0.49) PTPN1CTSLCTSSCTSBMMP9
SCHEMBL20816687 0.90 POLB (0.44) PTPN1CTSLCTSSCTSBMMP9
SCHEMBL20816884 0.90 POLB (0.44) PTPN1CTSLCTSSCTSBMMP9
SCHEMBL20816905 0.89 CTSL (0.51) CTSLCTSSCTSBCTSKPSMB5

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 PTPN1 4631/4885CTSL 3/4885CTSS 1/4885

“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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