Sugi Predict

Sugi Predict / Compounds / SCHEMBL8209212

SCHEMBL8209212

SCHEMBL8209212

COC(=O)[C@@H]1C/C=C/COc2ccc(cc2)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CAPN2 P17655 9/20 0.48
▸ TMPRSS2 O15393 6/20 0.48
▸ HPN P05981 6/20 0.48
▸ ST14 Q9Y5Y6 6/20 0.48
▸ F2 P00734 5/20 0.48
▸ HGFAC Q04756 4/20 0.48
▸ PSMB11 A5LHX3 2/20 0.40
▸ PSMA7 O14818 2/20 0.40
▸ PSMB1 P20618 2/20 0.40
▸ PSMA1 P25786 2/20 0.40
▸ PSMA2 P25787 2/20 0.40
▸ PSMA3 P25788 2/20 0.40
▸ PSMA4 P25789 2/20 0.40
▸ PSMB8 P28062 2/20 0.40
▸ PSMB9 P28065 2/20 0.40
▸ PSMA5 P28066 2/20 0.40
▸ PSMB4 P28070 2/20 0.40
▸ PSMB6 P28072 2/20 0.40
▸ PSMB5 P28074 2/20 0.40
▸ PSMB10 P40306 2/20 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
SCHEMBL12943280 1.00 CAPN2 (0.48) CAPN2TMPRSS2HPNST14F2
SCHEMBL12943167 0.92 CAPN2 (0.47) CAPN2TMPRSS2HPNST14F2
SCHEMBL17884328 0.92 CAPN2 (0.49) CAPN2TMPRSS2HPNST14F2
SCHEMBL12943118 0.92 CAPN2 (0.51) CAPN2TMPRSS2HPNST14F2
SCHEMBL17884332 0.92 CAPN2 (0.51) CAPN2TMPRSS2HPNST14F2
SCHEMBL12943281 0.90 CAPN2 (0.49) CAPN2TMPRSS2HPNST14F2
SCHEMBL930514 0.88 CAPN2 (0.45) CAPN2TMPRSS2HPNST14F2
SCHEMBL930513 0.88 CAPN2 (0.45) CAPN2TMPRSS2HPNST14F2
SCHEMBL15869939 0.88 F2 (0.47) CAPN2TMPRSS2HPNST14F2
SCHEMBL8209101 0.87 CAPN2 (0.49) CAPN2TMPRSS2HPNST14F2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9434762-B2 Macrocyclic cysteine protease inhibitors and compositions thereof UNIVERSITY OF CANTERBURY (NZ) 2016-09-06 — — US disclosed
US-20160185821-A1 Z-SELECTIVE OLEFIN METATHESIS OF PEPTIDES CALIFORNIA INSTITUTE OF TECHNOLOGY 2016-06-30 — — US disclosed
US-20140194362-A1 Macrocyclic Cysteine Protease Inhibitors and Compositions Thereof LINCOLN UNIVERSITY (NZ) 2014-07-10 — — US disclosed
US-20110021434-A1 Macrocyclic Cysteine Protease Inhibitors and Compositions Thereof UNIVERSITY OF CANTERBURY (NZ) 2011-01-27 — — US disclosed
WO-2008048121-A2 MACROCYCLIC CYSTEINE PROTEASE INHIBITORS AND COMPOSITIONS THEREOF LINCOLN UNIVERSITY (NZ) 2008-04-24 — — WO 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 (3 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-20140194362-A1 Macrocyclic Cysteine Protease Inhibitors and Compositions Thereof CAPNS1, CAPN1, CAPN9 CAPN2 4/4885TMPRSS2 92/4885HPN 37/4885
US-20160185821-A1 Z-SELECTIVE OLEFIN METATHESIS OF PEPTIDES QPCT, PTMS, MAX CAPN2 3036/4885TMPRSS2 2237/4885HPN 567/4885
US-20110021434-A1 Macrocyclic Cysteine Protease Inhibitors and Compositions Thereof CAPNS1, CAPN1, CAPN9 CAPN2 4/4885TMPRSS2 92/4885HPN 37/4885

“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.