SCHEMBL22067547

SCHEMBL22067547

N[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(-c2ccc(CSc3nc4c(c(=O)[nH]3)CCC4)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 20/20 1.00
MMP2 P08253 5/20 1.00
MMP8 P22894 3/20 1.00
COL2A1 P02458 1/20 0.68
MMP12 P39900 1/20 0.68
MMP1 P03956 1/20 0.66

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
SCHEMBL22066410 1.00 MMP13 (1.00) MMP13MMP2MMP8COL2A1MMP12
SCHEMBL22066282 1.00 MMP13 (1.00) MMP13MMP2MMP8COL2A1MMP12
SCHEMBL22066409 1.00 MMP13 (1.00) MMP13MMP2MMP8COL2A1MMP12
SCHEMBL22066285 0.88 MMP13 (0.81) MMP13MMP2MMP8COL2A1MMP12
SCHEMBL22066411 0.87 MMP13 (0.78) MMP13MMP2MMP8COL2A1MMP12
SCHEMBL22066306 0.81 MMP13 (1.00) MMP13MMP2MMP8COL2A1MMP12
SCHEMBL22066297 0.80 MMP13 (0.72) MMP13MMP2MMP8COL2A1MMP12
SCHEMBL22066290 0.79 MMP13 (1.00) MMP13MMP2MMP8COL2A1MMP12
SCHEMBL22066305 0.79 MMP13 (1.00) MMP13MMP2MMP8COL2A1MMP12
SCHEMBL22066283 0.76 MMP13 (0.74) MMP13MMP2MMP8COL2A1MMP12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200181095-A1 SELECTIVE MATRIX METALLOPROTEINASE-13 INHIBITORS FLORIDA ATLANTIC UNIVERSITY BOARD OF TRUSTEES (US) 2020-06-11 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-20200181095-A1 SELECTIVE MATRIX METALLOPROTEINASE-13 INHIBITORS MMP13, MMP17, MMP16 MMP13 1/4885MMP2 16/4885MMP8 24/4885

“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.