SCHEMBL20816656

SCHEMBL20816656

CC(NC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccccc1)C(=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FCER2 P06734 6/20 0.56
▸ PTPN1 P18031 4/20 0.56
▸ MMP9 P14780 5/20 0.53
▸ MMP8 P22894 4/20 0.53
▸ OPRD1 P41143 1/20 0.49
▸ MMP3 P08254 1/20 0.48
▸ PTPN2 P17706 2/20 0.48
▸ MME P08473 2/20 0.48
▸ ACE P12821 2/20 0.48
▸ CPA1 P15085 2/20 0.48
▸ ACE2 Q9BYF1 2/20 0.48
▸ CTSL P07711 1/20 0.47
▸ CTSB P07858 1/20 0.47
▸ CTSS P25774 1/20 0.47
▸ MMP2 P08253 3/20 0.47
▸ PTPRA P18433 1/20 0.47
▸ PTPN6 P29350 1/20 0.47
▸ PTPN11 Q06124 1/20 0.47
▸ MC4R P32245 1/20 0.47
▸ PSMB1 P20618 1/20 0.46

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
SCHEMBL20816548 1.00 FCER2 (0.56) FCER2PTPN1MMP9MMP8OPRD1
SCHEMBL20827855 0.93 PTPN1 (0.60) FCER2PTPN1MMP9MMP8PTPN2
SCHEMBL20828047 0.92 OPRD1 (0.56) FCER2PTPN1MMP9MMP8OPRD1
SCHEMBL20816664 0.91 PTPN1 (0.58) FCER2PTPN1PTPN2MMEACE
SCHEMBL20816879 0.91 PTPN1 (0.58) FCER2PTPN1PTPN2MMEACE
SCHEMBL20816662 0.91 PTPN1 (0.58) FCER2PTPN1PTPN2MMEACE
SCHEMBL20816899 0.91 PTPN1 (0.58) FCER2PTPN1PTPN2MMEACE
SCHEMBL20828045 0.91 PTPN1 (0.49) FCER2PTPN1MMP9MMP8OPRD1
SCHEMBL20816576 0.88 MMP9 (0.49) FCER2PTPN1MMP9MMP8OPRD1
SCHEMBL20816767 0.87 PTPN1 (0.62) FCER2PTPN1PTPN2CTSLCTSB

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 FCER2 4241/4885PTPN1 4631/4885MMP9 618/4885

“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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