SCHEMBL313985

SCHEMBL313985

CC1(S(=O)(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)CS1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.51
ALDH1A1 P00352 4/20 0.51
LMNA P02545 3/20 0.51
HTT P42858 2/20 0.50
RECQL P46063 1/20 0.50
HSPB1 P04792 1/20 0.49
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
MAPK1 P28482 3/20 0.48
MAPT P10636 2/20 0.48
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 3/20 0.44
POLB P06746 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MYOC Q99972 1/20 0.43
SRD5A2 P31213 1/20 0.42
CA12 O43570 2/20 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
SCHEMBL4294130 0.83 LMNA (0.50) SMN1; SMN2LMNAHTTKMT2ACA1
SCHEMBL314471 0.79 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1LMNAHTTRECQL
SCHEMBL315717 0.77 PGR (0.55) SMN1; SMN2ALDH1A1LMNAMAPK1MAPT
4,4'-Oxybis(Nitrobenzene) SCHEMBL8934595 0.77 HSPB1 (0.76) SMN1; SMN2ALDH1A1LMNAHTTRECQL
SCHEMBL177792 0.76 HSPB1 (0.59) SMN1; SMN2ALDH1A1LMNAHTTRECQL
SCHEMBL11846940 0.76 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1LMNAHTTRECQL
SCHEMBL9852534 0.76 SMN1; SMN2 (0.64) SMN1; SMN2ALDH1A1LMNAHTTRECQL
SCHEMBL314065 0.75 MMP2 (0.57) SMN1; SMN2ALDH1A1LMNARECQLMEN1
4,4'-Oxybis(Nitrobenzene) SCHEMBL134332 0.75 HSPB1 (0.79) SMN1; SMN2ALDH1A1LMNAHTTHSPB1
SCHEMBL11689190 0.75 HSPB1 (0.79) SMN1; SMN2ALDH1A1LMNAHTTHSPB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 SMN1; SMN2 2133/4885ALDH1A1 333/4885LMNA 672/4885
US-20110224275-A1 INHIBITORS OF MATRIX METALLOPROTEINASES MMP9, MMP1, MMP2 SMN1; SMN2 1825/4885ALDH1A1 403/4885LMNA 358/4885

“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.