SCHEMBL314471

SCHEMBL314471

CC1(S(=O)(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)CO1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
HTT P42858 2/20 0.53
RECQL P46063 1/20 0.53
LMNA P02545 2/20 0.51
HSPB1 P04792 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 2/20 0.48
MAPK1 P28482 2/20 0.48
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 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
HSP90AA1 P07900 1/20 0.42
NR3C1 P04150 1/20 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
SCHEMBL313985 0.79 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2HTTRECQLLMNA
SCHEMBL314081 0.77 PGR (0.55) ALDH1A1SMN1; SMN2LMNAMAPTMAPK1
4,4'-Oxybis(Nitrobenzene) SCHEMBL8934595 0.77 HSPB1 (0.76) ALDH1A1SMN1; SMN2HTTRECQLLMNA
SCHEMBL313440 0.76 MMP2 (0.55) ALDH1A1SMN1; SMN2RECQLLMNAMEN1
SCHEMBL177792 0.76 HSPB1 (0.59) ALDH1A1SMN1; SMN2HTTRECQLLMNA
SCHEMBL9852534 0.76 SMN1; SMN2 (0.64) ALDH1A1SMN1; SMN2HTTRECQLLMNA
SCHEMBL11846940 0.76 SMN1; SMN2 (0.64) ALDH1A1SMN1; SMN2HTTRECQLLMNA
4,4'-Oxybis(Nitrobenzene) SCHEMBL134332 0.75 HSPB1 (0.79) ALDH1A1SMN1; SMN2HTTLMNAHSPB1
SCHEMBL11689190 0.75 HSPB1 (0.79) ALDH1A1SMN1; SMN2HTTLMNAHSPB1
SCHEMBL9183872 0.75 HSPB1 (0.79) ALDH1A1SMN1; SMN2HTTLMNAHSPB1

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 ALDH1A1 333/4885SMN1; SMN2 2133/4885HTT 3868/4885
US-20110224275-A1 INHIBITORS OF MATRIX METALLOPROTEINASES MMP9, MMP1, MMP2 ALDH1A1 403/4885SMN1; SMN2 1825/4885HTT 2549/4885

“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.