SCHEMBL8206145

SCHEMBL8206145

COC(=O)[C@@H]1CCCOc2ccc(cc2)C[C@H](BOCN)C(=O)N[C@@H](C(C)C)C(=O)N1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 10/20 0.44
MMP7 P09237 10/20 0.44
MMP3 P08254 10/20 0.44
MMP9 P14780 4/20 0.44
MMP13 P45452 2/20 0.44
MMP12 P39900 1/20 0.44
ADAM17 P78536 10/20 0.44
MMP1 P03956 9/20 0.44
CAPN2 P17655 2/20 0.43
MMP8 P22894 1/20 0.41
MMP14 P50281 1/20 0.41
MMP15 P51511 1/20 0.41
MMP16 P51512 1/20 0.41

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
SCHEMBL8213651 0.97 CAPN2 (0.46) MMP2MMP7MMP3MMP9MMP13
SCHEMBL8205387 0.92 MMP2 (0.49) MMP2MMP7MMP3MMP9MMP13
SCHEMBL8209145 0.91 CPB2 (0.42) MMP2MMP7MMP3MMP9MMP13
SCHEMBL12943170 0.89 MMP2 (0.49) MMP2MMP7MMP3MMP9MMP13
SCHEMBL8208869 0.86 F2 (0.35) MMP2MMP7MMP3MMP9MMP13
SCHEMBL8211181 0.86 F2 (0.35) MMP2MMP7MMP3MMP9MMP13
SCHEMBL8213641 0.85 CAPN2 (0.34) MMP2MMP7MMP3MMP9MMP13
SCHEMBL8202847 0.84 CAPN2 (0.46) MMP2MMP7MMP3MMP9MMP13
Hydrochloric Acid SCHEMBL931143 0.83 CAPN2 (0.45) MMP2MMP7MMP3MMP9MMP13
Hydrochloric Acid SCHEMBL931142 0.83 CAPN2 (0.45) MMP2MMP7MMP3MMP9MMP13

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-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 (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-20110021434-A1 Macrocyclic Cysteine Protease Inhibitors and Compositions Thereof CAPNS1, CAPN1, CAPN9 MMP2 164/4885MMP7 250/4885MMP3 197/4885

“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.