SCHEMBL4313668

SCHEMBL4313668

C=CCN([C@@H](C(=O)OCc1ccccc1)C(C)(C)C)S(=O)(=O)c1cccc(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 5/20 0.45
PGR P06401 2/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
BCHE P06276 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
HSD11B1 P28845 1/20 0.38
CYP11B1 P15538 1/20 0.37
MAPT P10636 1/20 0.37
AKR1C3 P42330 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL4323009 0.85 MMP2 (0.48) TAS2R14PGRKEAP1NFE2L2KDM4E
SCHEMBL4316551 0.85 TAS2R14 (0.45) TAS2R14PGRKEAP1NFE2L2KDM4E
SCHEMBL4313198 0.84 TAS2R14 (0.44) TAS2R14PGRKEAP1NFE2L2KDM4E
SCHEMBL4310204 0.82 TAS2R14 (0.45) TAS2R14PGRKEAP1NFE2L2KDM4E
SCHEMBL4318692 0.79 CYP11B1 (0.48) TAS2R14PGRKEAP1NFE2L2CYP11B1
SCHEMBL4318699 0.79 CYP11B1 (0.48) TAS2R14PGRKEAP1NFE2L2CYP11B1
SCHEMBL11948501 0.75 TAS2R14 (0.54) TAS2R14PGRKEAP1NFE2L2LMNA
SCHEMBL4319421 0.73 ADAMTS4 (0.48) TAS2R14PGRKEAP1NFE2L2LMNA
SCHEMBL6076540 0.73 KEAP1 (0.41) TAS2R14KEAP1NFE2L2
SCHEMBL11948510 0.72 ADAMTS4 (0.59) TAS2R14KDM4ELMNAALDH1A1CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 TAS2R14 2291/4885PGR 2458/4885KEAP1 1648/4885
US-20120225882-A1 SELECTIVE HYDROXAMATE BASED MMP INHIBITORS MMP13, MMP11, MMP14 TAS2R14 2291/4885PGR 2458/4885KEAP1 1648/4885

“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.