SCHEMBL14636268

SCHEMBL14636268

COc1ccc(S(=O)(=O)NC#CCC(C(=O)O)C(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 13/20 0.51
MMP13 P45452 12/20 0.51
MMP3 P08254 8/20 0.51
MMP1 P03956 7/20 0.51
MMP9 P14780 6/20 0.51
MMP8 P22894 3/20 0.51
MMP7 P09237 1/20 0.51
SLC1A3 P43003 1/20 0.49
SLC1A2 P43004 1/20 0.49
SLC1A1 P43005 1/20 0.49
ADAMTS4 O75173 1/20 0.46
TSHR P16473 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
KDM4E B2RXH2 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL14636108 0.88 MMP13 (0.52) MMP2MMP13MMP3MMP1MMP9
SCHEMBL14636309 0.84 SLC1A3 (0.41) MMP2MMP13MMP3MMP1MMP9
SCHEMBL7075250 0.74 MMP13 (0.59) MMP2MMP13MMP3MMP1MMP9
SCHEMBL2161549 0.71 MMP9 (0.92) MMP2MMP13MMP3MMP1MMP9
SCHEMBL2161452 0.71 MMP9 (0.92) MMP2MMP13MMP3MMP1MMP9
SCHEMBL5839717 0.71 MMP9 (0.92) MMP2MMP13MMP3MMP1MMP9
SCHEMBL4619973 0.70 MMP2 (0.68) MMP2MMP13MMP3MMP1MMP9
SCHEMBL4618694 0.70 MMP2 (0.68) MMP2MMP13MMP3MMP1MMP9
SCHEMBL4621342 0.70 MMP2 (0.68) MMP2MMP13MMP3MMP1MMP9
SCHEMBL4619626 0.70 MMP2 (0.66) MMP2MMP13MMP3MMP1MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220227792-A1 CARBORANE HYDROXAMIC ACID MATRIX METALLOPROTEINASE AGENTS FOR BORON NEUTRON CAPTURE THERAPY LOYOLA UNIVERSITY OF CHICAGO 2022-07-21 US disclosed
WO-2020252439-A1 CARBORANE HYDROXAMIC ACID MATRIX METALLOPROTEINASE AGENTS FOR BORON NEUTRON CAPTURE THERAPY LOYOLA UNIVERSITY OF CHICAGO (US) 2020-12-17 WO disclosed
WO-2013010573-A1 COMPOUNDS WITH MATRIX-METALLOPROTEINASE INHIBITORY ACTIVITY UNIVERSITAET MUENSTER (DE) 2013-01-24 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-20220227792-A1 CARBORANE HYDROXAMIC ACID MATRIX METALLOPROTEINASE AGENTS FOR BORON NEUTRON CAPTURE THERAPY MMP9, MMP26, MMP25 MMP2 9/4885MMP13 11/4885MMP3 8/4885

“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.