SCHEMBL931561

SCHEMBL931561

COC(=O)[C@@H]1CCCCOc2ccc(cc2)C[C@H](NS(C)(=O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CAPN2 P17655 8/20 0.56
CPB2 Q96IY4 1/20 0.45
MMP2 P08253 10/20 0.43
MMP7 P09237 10/20 0.43
MMP1 P03956 9/20 0.43
MMP3 P08254 9/20 0.43
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
PLG P00747 1/20 0.40
KLKB1 P03952 1/20 0.40
PROC P04070 1/20 0.40
MMP9 P14780 1/20 0.40
MMP12 P39900 1/20 0.40
MMP13 P45452 1/20 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
SCHEMBL12943095 0.90 CAPN2 (0.53) CAPN2MMP2MMP7MMP1MMP3
SCHEMBL8208871 0.88 CAPN2 (0.74) CAPN2CPB2MMP2MMP7MMP1
SCHEMBL12943113 0.88 CAPN2 (0.51) CAPN2MMP2MMP7MMP1MMP3
SCHEMBL930019 0.85 CAPN2 (0.74) CAPN2CPB2MMP2MMP7MMP1
SCHEMBL8205365 0.85 CAPN2 (0.49) CAPN2MMP2MMP7MMP1MMP3
SCHEMBL931593 0.85 CAPN2 (0.57) CAPN2MMP2MMP7MMP1MMP3
SCHEMBL931991 0.83 CAPN2 (0.77) CAPN2CPB2MMP2MMP7MMP1
SCHEMBL930000 0.83 CAPN2 (0.54) CAPN2MMP2MMP7MMP1MMP3
SCHEMBL931289 0.82 CAPN2 (0.54) CAPN2MMP2MMP7MMP1MMP3
SCHEMBL8202847 0.82 CAPN2 (0.46) CAPN2MMP2MMP7MMP1MMP3

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 7 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-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-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
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 4/4885CPB2 36/4885MMP2 164/4885
US-20110021434-A1 Macrocyclic Cysteine Protease Inhibitors and Compositions Thereof CAPNS1, CAPN1, CAPN9 CAPN2 4/4885CPB2 36/4885MMP2 164/4885

“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.