SCHEMBL20816725

SCHEMBL20816725

CC(NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)Cc1ccccc1)C(=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 4/20 0.48
▸ CTSL P07711 1/20 0.44
▸ CTSB P07858 1/20 0.44
▸ CTSS P25774 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ PTPN2 P17706 2/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ CHRNA1 P02708 2/20 0.41
▸ CHRNG P07510 2/20 0.41
▸ CHRNB1 P11230 2/20 0.41
▸ CHRND Q07001 2/20 0.41
▸ PTPRA P18433 1/20 0.41
▸ PTPN6 P29350 1/20 0.41
▸ PTPN11 Q06124 1/20 0.41
▸ GPR34 Q9UPC5 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
SCHEMBL20816638 1.00 PTPN1 (0.48) PTPN1CTSLCTSBCTSSKDM4E
SCHEMBL20816635 0.94 CTSL (0.49) PTPN1CTSLCTSBCTSSALDH1A1
SCHEMBL20816948 0.94 CTSL (0.49) PTPN1CTSLCTSBCTSSALDH1A1
SCHEMBL20816553 0.93 PTPN1 (0.44) PTPN1CTSLCTSBCTSSKDM4E
SCHEMBL20816622 0.93 PTPN1 (0.44) PTPN1CTSLCTSBCTSSKDM4E
SCHEMBL20816851 0.93 PTPN1 (0.47) PTPN1CTSLCTSBCTSSALDH1A1
SCHEMBL20816562 0.93 PTPN1 (0.47) PTPN1CTSLCTSBCTSSALDH1A1
SCHEMBL20816569 0.92 PTPN1 (0.43) PTPN1CTSLCTSBCTSSKDM4E
SCHEMBL20816570 0.92 PTPN1 (0.43) PTPN1CTSLCTSBCTSSKDM4E
SCHEMBL20816864 0.90 PTPN1 (0.44) PTPN1CTSLCTSBCTSSPTPN2

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 3/4885CTSB 2/4885

“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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