SCHEMBL2369869

SCHEMBL2369869

Nc1ccc(Oc2ccc(S(=O)(=O)CC3CS3)cc2)cc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 20/20 1.00
MMP14 P50281 16/20 1.00
MMP9 P14780 19/20 0.74
MMP8 P22894 10/20 0.74
MMP3 P08254 7/20 0.74
MMP7 P09237 4/20 0.74
MMP1 P03956 1/20 0.64
ADAM17 P78536 1/20 0.64

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
SCHEMBL16404383 0.86 MMP2 (0.75) MMP2MMP14MMP9MMP8MMP3
SCHEMBL12747549 0.85 MMP2 (1.00) MMP2MMP14MMP9MMP8MMP3
SCHEMBL10238452 0.85 MMP2 (1.00) MMP2MMP14MMP9MMP8MMP3
SCHEMBL18268430 0.85 MMP2 (0.74) MMP2MMP14MMP9MMP8MMP3
SCHEMBL10187458 0.84 MMP2 (0.76) MMP2MMP14MMP9MMP8MMP3
SCHEMBL12290723 0.83 MMP2 (1.00) MMP2MMP14MMP9MMP8MMP3
Hydrochloric Acid SCHEMBL14716993 0.81 MMP2 (1.00) MMP2MMP14MMP9MMP8MMP3
SCHEMBL18270582 0.79 MMP2 (0.73) MMP2MMP14MMP9MMP8MMP3
SCHEMBL2684163 0.78 MMP2 (1.00) MMP2MMP14MMP9MMP8MMP3
SCHEMBL2370155 0.78 MMP2 (0.74) MMP2MMP14MMP9MMP8MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9867805-B2 Gelatinase inhibitors and prodrugs UNIVERSITY OF NOTRE DAME DU LAC (US) 2018-01-16 US disclosed
US-9867805-B2 Gelatinase inhibitors and prodrugs UNIVERSITY OF NOTRE DAME DU LAC (US) 2018-01-16 US disclosed
US-20160346247-A1 GELATINASE INHIBITORS AND PRODRUGS UNIVERSITY OF NOTRE DAME DU LAC (US) 2016-12-01 US disclosed
US-9321754-B2 Gelatinase inhibitors and prodrugs UNIVERSITY OF NOTRE DAME DU LAC (US) 2016-04-26 US disclosed
US-9321754-B2 Gelatinase inhibitors and prodrugs UNIVERSITY OF NOTRE DAME DU LAC (US) 2016-04-26 US disclosed
US-9321754-B2 Gelatinase inhibitors and prodrugs UNIVERSITY OF NOTRE DAME DU LAC (US) 2016-04-26 US disclosed
US-20150093372-A1 GELATINASE INHIBITORS AND PRODRUGS UNIVERSITY OF NOTRE DAME DU LAC (US) 2015-04-02 US disclosed
US-20150093372-A1 GELATINASE INHIBITORS AND PRODRUGS UNIVERSITY OF NOTRE DAME DU LAC (US) 2015-04-02 US disclosed
US-20150093372-A1 GELATINASE INHIBITORS AND PRODRUGS UNIVERSITY OF NOTRE DAME DU LAC (US) 2015-04-02 US disclosed
US-8937151-B2 Gelatinase inhibitors and prodrugs UNIVERSITY OF NOTRE DAME DU LAC (US) 2015-01-20 US disclosed
US-8937151-B2 Gelatinase inhibitors and prodrugs UNIVERSITY OF NOTRE DAME DU LAC (US) 2015-01-20 US disclosed
US-8937151-B2 Gelatinase inhibitors and prodrugs UNIVERSITY OF NOTRE DAME DU LAC (US) 2015-01-20 US disclosed
US-20130052184-A1 GELATINASE INHIBITORS AND PRODRUGS UNIVERSITY OF NOTRE DAME DU LAC (US) 2013-02-28 US disclosed
US-20130052184-A1 GELATINASE INHIBITORS AND PRODRUGS UNIVERSITY OF NOTRE DAME DU LAC (US) 2013-02-28 US disclosed
US-20130052184-A1 GELATINASE INHIBITORS AND PRODRUGS UNIVERSITY OF NOTRE DAME DU LAC (US) 2013-02-28 US disclosed
WO-2011109767-A2 GELATINASE INHIBITORS AND PRODRUGS UNIVERSITY OF NOTRE DAME DU LAC (US) 2011-09-09 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 (3 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-20130052184-A1 GELATINASE INHIBITORS AND PRODRUGS MMP14, MMP9, MMP10 MMP2 15/4885MMP14 1/4885MMP9 2/4885
US-20160346247-A1 GELATINASE INHIBITORS AND PRODRUGS MMP14, MMP9, MMP10 MMP2 15/4885MMP14 1/4885MMP9 2/4885
US-20150093372-A1 GELATINASE INHIBITORS AND PRODRUGS MMP14, MMP9, MMP10 MMP2 15/4885MMP14 1/4885MMP9 2/4885

“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.