SCHEMBL4328353

SCHEMBL4328353

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 1/20 0.47
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
ITGAV P06756 1/20 0.43
AKR1C3 P42330 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 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
SCHEMBL4328361 1.00 MEP1B (0.47) MEP1BALDH1A1LMNAPOLBL3MBTL1
SCHEMBL4319421 0.83 ADAMTS4 (0.48) MEP1BALDH1A1LMNAPOLBL3MBTL1
SCHEMBL4313196 0.82 MEP1B (0.51) MEP1BALDH1A1LMNAPOLBL3MBTL1
SCHEMBL12376754 0.71 KEAP1 (0.57) MEP1BALDH1A1LMNAL3MBTL1FFAR4
SCHEMBL4620884 0.71 ADAMTS4 (0.55) MEP1BL3MBTL1ITGAVFFAR4KEAP1
SCHEMBL4620675 0.71 ADAMTS4 (0.55) MEP1BL3MBTL1ITGAVFFAR4KEAP1
SCHEMBL4619809 0.71 ADAMTS4 (0.55) MEP1BL3MBTL1ITGAVFFAR4KEAP1
SCHEMBL4621800 0.70 ITGAV (0.62) MEP1BL3MBTL1ITGAVAKR1C3FFAR4
SCHEMBL6774257 0.70 MEP1B (0.57) MEP1BALDH1A1LMNAPOLBL3MBTL1
SCHEMBL4620040 0.70 ITGAV (0.62) MEP1BL3MBTL1ITGAVAKR1C3FFAR4

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 8 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
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 MEP1B 1259/4885ALDH1A1 814/4885LMNA 2212/4885
US-20120225882-A1 SELECTIVE HYDROXAMATE BASED MMP INHIBITORS MMP13, MMP11, MMP14 MEP1B 1259/4885ALDH1A1 814/4885LMNA 2212/4885

“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.