SCHEMBL930513

SCHEMBL930513

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CAPN2 P17655 10/20 0.45
PLG P00747 3/20 0.37
F2 P00734 3/20 0.37
TMPRSS2 O15393 1/20 0.37
HPN P05981 1/20 0.37
HGFAC Q04756 1/20 0.37
ST14 Q9Y5Y6 1/20 0.37
F10 P00742 2/20 0.35
KLKB1 P03952 2/20 0.35
PROC P04070 1/20 0.35
CTSD P07339 1/20 0.35
BACE1 P56817 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL930514 1.00 CAPN2 (0.45) CAPN2PLGF2TMPRSS2HPN
SCHEMBL12943280 0.88 CAPN2 (0.48) CAPN2PLGF2TMPRSS2HPN
SCHEMBL8209212 0.88 CAPN2 (0.48) CAPN2PLGF2TMPRSS2HPN
SCHEMBL15308818 0.88 PLG (0.44) CAPN2PLGF2F10KLKB1
SCHEMBL15869979 0.87 CAPN2 (0.41) CAPN2PLGF2TMPRSS2HPN
SCHEMBL931289 0.86 CAPN2 (0.54) CAPN2
SCHEMBL931593 0.85 CAPN2 (0.57) CAPN2
SCHEMBL931650 0.84 CAPN2 (0.52) CAPN2
SCHEMBL930920 0.82 CAPN2 (0.60) CAPN2CTSDBACE1
SCHEMBL17884332 0.80 CAPN2 (0.51) CAPN2F2TMPRSS2HPNHGFAC

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 4 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-20140194362-A1 Macrocyclic Cysteine Protease Inhibitors and Compositions Thereof LINCOLN UNIVERSITY (NZ) 2014-07-10 US disclosed
US-8710178-B2 Macrocyclic cysteine protease inhibitors and compositions thereof LINCOLN UNIVERSITY (NZ) 2014-04-29 US disclosed
US-20110021434-A1 Macrocyclic Cysteine Protease Inhibitors and Compositions Thereof UNIVERSITY OF CANTERBURY (NZ) 2011-01-27 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 (2 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 4/4885PLG 414/4885F2 3575/4885
US-20110021434-A1 Macrocyclic Cysteine Protease Inhibitors and Compositions Thereof CAPNS1, CAPN1, CAPN9 CAPN2 4/4885PLG 414/4885F2 3575/4885

“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.