SCHEMBL20827937

SCHEMBL20827937

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 4/20 0.57
▸ ALDH1A1 P00352 4/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ CTSL P07711 1/20 0.51
▸ CTSB P07858 1/20 0.51
▸ CTSS P25774 1/20 0.51
▸ CHRNA1 P02708 4/20 0.48
▸ CHRNG P07510 4/20 0.48
▸ CHRNB1 P11230 4/20 0.48
▸ CHRND Q07001 4/20 0.48
▸ PTPN2 P17706 2/20 0.48
▸ PTPRA P18433 1/20 0.48
▸ PTPN6 P29350 1/20 0.48
▸ PTPN11 Q06124 1/20 0.48
▸ GRIA1 P42261 1/20 0.46
▸ OPRD1 P41143 5/20 0.45
▸ OPRM1 P35372 4/20 0.45
▸ OPRK1 P41145 1/20 0.45

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
SCHEMBL20827945 0.91 CTSL (0.60) PTPN1ALDH1A1KMT2ACTSLCTSB
SCHEMBL20828044 0.91 PTPN1 (0.61) PTPN1CTSLCTSBCTSSCHRNA1
SCHEMBL20816766 0.89 PTPN1 (0.62) PTPN1ALDH1A1KMT2AMEN1LMNA
SCHEMBL20816767 0.89 PTPN1 (0.62) PTPN1ALDH1A1KMT2AMEN1LMNA
SCHEMBL20828015 0.89 CTSL (0.55) PTPN1ALDH1A1KMT2ACTSLCTSB
SCHEMBL20827951 0.87 CTSS (0.53) PTPN1ALDH1A1KMT2ACTSLCTSB
SCHEMBL20827964 0.85 OPRD1 (0.52) PTPN1CTSLCTSBCTSSOPRD1
SCHEMBL20816552 0.84 PTPN1 (0.47) PTPN1ALDH1A1KMT2AMEN1LMNA
SCHEMBL20827940 0.83 PTPN1 (0.52) PTPN1KMT2AMEN1CTSLCTSB
SCHEMBL20827925 0.83 POLB (0.52) PTPN1KMT2AMEN1CTSLCTSB

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-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 4631/4885ALDH1A1 1474/4885KMT2A 1698/4885

“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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