SCHEMBL314081

SCHEMBL314081

CC1(S(=O)(=O)c2ccc(Oc3ccc(NS(C)(=O)=O)cc3)cc2)CO1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 4/20 0.55
MMP2 P08253 2/20 0.54
MMP1 P03956 1/20 0.54
MMP3 P08254 1/20 0.51
MMP9 P14780 1/20 0.51
MMP14 P50281 1/20 0.51
LMNA P02545 2/20 0.48
MAPK1 P28482 2/20 0.48
GAA P10253 1/20 0.48
LTA4H P09960 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
FFAR1 O14842 1/20 0.42
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KIF11 P52732 1/20 0.40
SMN1; SMN2 Q16637 2/20 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
SCHEMBL19297773 0.85 PGR (0.43) PGRMMP2MMP1MMP3MMP9
SCHEMBL313440 0.82 MMP2 (0.55) MMP2MMP1MMP3MMP9MMP14
SCHEMBL4294133 0.81 LMNA (0.50) PGRMMP2MMP1MMP3MMP9
SCHEMBL315717 0.81 PGR (0.55) PGRMMP2MMP1MMP3MMP9
SCHEMBL4205144 0.78 PGR (0.85) PGRMMP2MMP1MMP3MMP9
SCHEMBL314471 0.77 ALDH1A1 (0.53) LMNAMAPK1CA12CA1CA2
SCHEMBL3116450 0.72 PGR (0.73) PGRMMP2MMP1MMP3MMP9
SCHEMBL28015271 0.72 PGR (1.00) PGRGAAFFAR1NPC1RAB9A
SCHEMBL3112491 0.72 PGR (0.73) PGRMMP2MMP1MMP3MMP9
SCHEMBL12172176 0.72 PGR (0.84) PGRMMP2MMP1MMP3MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023204170-A1 PROPHYLACTIC OR THERAPEUTIC AGENT, FOR LUNG INFLAMMATION AND FIBROSIS, CONTAINING COMPOUND HAVING MMP2 INHIBITORY ACTIVITY AS ACTIVE INGREDIENT 大正製薬株式会社 2023-10-26 WO disclosed
US-8828977-B2 Method of treating a subject suffering from degenerative disc disease using a matrix metalloprotease inhibitor DISCOGEN, LLC (US) 2014-09-09 US disclosed
US-8093287-B2 Inhibitors of matrix metalloproteinases UNIVERSITY OF NOTRE DAME DU LAC (US) 2012-01-10 US disclosed
US-20110224275-A1 INHIBITORS OF MATRIX METALLOPROTEINASES NOTRE DAME UNIVERSITY (US) 2011-09-15 US disclosed
US-7928127-B2 Inhibitors of matrix metallaproteinases NOTRE DAME UNIVERSITY (US) 2011-04-19 US disclosed
US-20090005420-A1 Inhibitors of Matrix Metallaproteinases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-01-01 US disclosed
EP-1986657-A2 METHOD OF TREATING A SUBJECT SUFFERING FROM DEGENERATIVE DISC DISEASE USING A MATRIX METALLOPROTEASE INHIBITOR Discogen, LLC (US) 2008-11-05 EP disclosed
WO-2007098099-A2 METHOD OF TREATING A SUBJECT SUFFERING FROM DEGENERATIVE DISC DISEASE USING A MATRIX METALLOPROTEASE INHIBITOR DISCOGEN, LLC (US) 2007-08-30 WO disclosed
US-20070190149-A1 Method of treating a subject suffering from degenerative disc disease using a matrix metalloprotease inhibitor DISCOGEN, LLC 2007-08-16 US disclosed
WO-2006125208-A1 INHIBITORS OF MATRIX METALLOPROTEINASES WAYNE STATE UNIVERSITY (US) 2006-11-23 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 (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-20090005420-A1 Inhibitors of Matrix Metallaproteinases MMP9, MMP1, MMP2 PGR 2287/4885MMP2 3/4885MMP1 2/4885
US-20110224275-A1 INHIBITORS OF MATRIX METALLOPROTEINASES MMP9, MMP1, MMP2 PGR 2096/4885MMP2 3/4885MMP1 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.