SCHEMBL20816877

SCHEMBL20816877

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 4/20 0.56
▸ PTPN2 P17706 2/20 0.48
▸ PTPRA P18433 1/20 0.48
▸ PTPN6 P29350 1/20 0.48
▸ PTPN11 Q06124 1/20 0.48
▸ FCER2 P06734 3/20 0.47
▸ MMP3 P08254 1/20 0.47
▸ MMP9 P14780 1/20 0.47
▸ CTSL P07711 2/20 0.46
▸ CTSS P25774 2/20 0.46
▸ CTSB P07858 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ GPR34 Q9UPC5 1/20 0.46
▸ MAPT P10636 1/20 0.44
▸ HPGD P15428 1/20 0.44

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
SCHEMBL20816696 1.00 PTPN1 (0.56) PTPN1PTPN2PTPRAPTPN6PTPN11
SCHEMBL20816662 0.95 PTPN1 (0.58) PTPN1PTPN2PTPRAPTPN6PTPN11
SCHEMBL20816664 0.95 PTPN1 (0.58) PTPN1PTPN2PTPRAPTPN6PTPN11
SCHEMBL20816879 0.95 PTPN1 (0.58) PTPN1PTPN2PTPRAPTPN6PTPN11
SCHEMBL20816899 0.95 PTPN1 (0.58) PTPN1PTPN2PTPRAPTPN6PTPN11
SCHEMBL20816880 0.94 PTPN1 (0.54) PTPN1PTPN2PTPRAPTPN6PTPN11
SCHEMBL20816845 0.94 PTPN1 (0.54) PTPN1PTPN2PTPRAPTPN6PTPN11
SCHEMBL20827855 0.91 PTPN1 (0.60) PTPN1PTPN2PTPRAPTPN6PTPN11
SCHEMBL20816764 0.91 PTPN1 (0.53) PTPN1PTPN2PTPRAPTPN6PTPN11
SCHEMBL20816762 0.91 PTPN1 (0.53) PTPN1PTPN2PTPRAPTPN6PTPN11

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 4631/4885PTPN2 4709/4885PTPRA 3495/4885

“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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