SCHEMBL20828015

SCHEMBL20828015

CC(NC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)Cc1ccccc1)C(=O)C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.55
▸ CTSS P25774 2/20 0.55
▸ CTSB P07858 1/20 0.55
▸ ALDH1A1 P00352 2/20 0.53
▸ HPGD P15428 2/20 0.53
▸ MAPT P10636 1/20 0.53
▸ PTPN1 P18031 1/20 0.53
▸ CHRNA1 P02708 2/20 0.49
▸ CHRNG P07510 2/20 0.49
▸ CHRNB1 P11230 2/20 0.49
▸ CHRND Q07001 2/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ MME P08473 3/20 0.48
▸ ACE P12821 3/20 0.48
▸ CPA1 P15085 3/20 0.48
▸ ACE2 Q9BYF1 3/20 0.48
▸ OPRD1 P41143 5/20 0.47
▸ OPRM1 P35372 4/20 0.47
▸ NPY1R P25929 1/20 0.47
▸ OPRK1 P41145 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
SCHEMBL20827945 0.95 CTSL (0.60) CTSLCTSSCTSBALDH1A1PTPN1
SCHEMBL20827951 0.91 CTSS (0.53) CTSLCTSSCTSBALDH1A1PTPN1
SCHEMBL20827937 0.89 PTPN1 (0.57) CTSLCTSSCTSBALDH1A1MAPT
SCHEMBL20827964 0.89 OPRD1 (0.52) CTSLCTSSCTSBPTPN1MME
SCHEMBL20816662 0.88 PTPN1 (0.58) CTSLCTSSCTSBALDH1A1HPGD
SCHEMBL20816899 0.88 PTPN1 (0.58) CTSLCTSSCTSBALDH1A1HPGD
SCHEMBL20816879 0.88 PTPN1 (0.58) CTSLCTSSCTSBALDH1A1HPGD
SCHEMBL20828044 0.88 PTPN1 (0.61) CTSLCTSSCTSBPTPN1CHRNA1
SCHEMBL20816664 0.88 PTPN1 (0.58) CTSLCTSSCTSBALDH1A1HPGD
SCHEMBL20827925 0.86 POLB (0.52) CTSLCTSSCTSBPTPN1CHRNA1

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 CTSL 3/4885CTSS 1/4885CTSB 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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