SCHEMBL4318692

SCHEMBL4318692

COc1cccc(S(=O)(=O)N(CCCc2cccnc2)[C@@H](C(=O)OCc2ccccc2)C(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.48
PTAFR P25105 3/20 0.42
CYP11B2 P19099 1/20 0.42
MMP9 P14780 2/20 0.42
MMP2 P08253 1/20 0.42
ADAMTS4 O75173 1/20 0.41
GRM2 Q14416 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
TAS2R14 Q9NYV8 1/20 0.40
PTGER2 P43116 2/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
PGR P06401 1/20 0.40
TBXAS1 P24557 1/20 0.39
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39

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
SCHEMBL4318699 1.00 CYP11B1 (0.48) CYP11B1PTAFRCYP11B2MMP9MMP2
SCHEMBL11948508 0.87 MMP9 (0.49) CYP11B1PTAFRCYP11B2MMP9MMP2
SCHEMBL4316551 0.86 TAS2R14 (0.45) CYP11B1TAS2R14KEAP1NFE2L2PGR
SCHEMBL4313198 0.85 TAS2R14 (0.44) TAS2R14KEAP1NFE2L2PGR
SCHEMBL4323009 0.84 MMP2 (0.48) CYP11B1MMP9MMP2TAS2R14KEAP1
SCHEMBL4310204 0.83 TAS2R14 (0.45) CYP11B1MMP9MMP2TAS2R14KEAP1
SCHEMBL11948510 0.80 ADAMTS4 (0.59) CYP11B1MMP9MMP2ADAMTS4GRM2
SCHEMBL4313668 0.79 TAS2R14 (0.45) CYP11B1TAS2R14KEAP1NFE2L2PGR
SCHEMBL4310251 0.72 MMP2 (0.52) MMP9MMP2TAS2R14KEAP1NFE2L2
SCHEMBL15500372 0.69 MMP13 (0.47) MMP9MMP2KEAP1NFE2L2

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
US-8314148-B2 Selective hydroxamate based MMP inhibitors NOVARTIS AG (CH) 2012-11-20 US claimed
US-20120225882-A1 SELECTIVE HYDROXAMATE BASED MMP INHIBITORS NOVARTIS AG (CH) 2012-09-06 US claimed
EP-2001838-B1 SELECTIVE HYDROXAMATE BASED MMP INHIBITORS NOVARTIS AG (CH) 2014-03-12 EP disclosed
EP-2597083-A2 Selective hydroxamate based MMP inhibitors Novartis AG (CH) 2013-05-29 EP disclosed
US-8314148-B2 Selective hydroxamate based MMP inhibitors NOVARTIS AG (CH) 2012-11-20 US disclosed
US-20120225882-A1 SELECTIVE HYDROXAMATE BASED MMP INHIBITORS NOVARTIS AG (CH) 2012-09-06 US disclosed
US-8232427-B2 Selective hydroxamate based MMP inhibitors NOVARTIS AG (CH) 2012-07-31 US disclosed
US-20090318511-A1 SELECTIVE HYDROXAMATE BASED MMP INHIBITORS NOVARTIS AG (CH) 2009-12-24 US disclosed
EP-2001838-A2 SELECTIVE HYDROXAMATE BASED MMP INHIBITORS Novartis AG (CH) 2008-12-17 EP disclosed
WO-2007117981-A2 SELECTIVE HYDROXAMATE BASED MMP INHIBITORS NOVARTIS AG (CH) 2007-10-18 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-20090318511-A1 SELECTIVE HYDROXAMATE BASED MMP INHIBITORS MMP13, MMP11, MMP14 CYP11B1 470/4885PTAFR 935/4885CYP11B2 788/4885
US-20120225882-A1 SELECTIVE HYDROXAMATE BASED MMP INHIBITORS MMP13, MMP11, MMP14 CYP11B1 470/4885PTAFR 935/4885CYP11B2 788/4885

“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.