SCHEMBL5036997

SCHEMBL5036997

CC(C)(C)OC(=O)[C@@H](CCCN1C(=O)c2ccccc2S1(=O)=O)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 4/20 0.44
MMP2 P08253 2/20 0.44
MMP3 P08254 2/20 0.44
MMP9 P14780 2/20 0.44
TPSAB1 Q15661 3/20 0.43
TPSD1 Q9BZJ3 3/20 0.43
TPSG1 Q9NRR2 3/20 0.43
HPGD P15428 1/20 0.42
CA9 Q16790 4/20 0.41
CA12 O43570 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
CA2 P00918 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PKM P14618 1/20 0.40
ELANE P08246 1/20 0.40
KMT2A Q03164 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
SCHEMBL1380169 0.89 MMP2 (0.48) MMP13MMP2MMP3MMP9HPGD
SCHEMBL1376755 0.84 KMT2A (0.47) MMP13MMP2MMP3MMP9HPGD
SCHEMBL1376946 0.84 RAB9A (0.50) MMP13MMP2MMP3MMP9HPGD
SCHEMBL1380239 0.83 MMP2 (0.45) MMP13MMP2MMP3MMP9HPGD
Hydroxyamine SCHEMBL7481959 0.82 MMP2 (0.44) MMP13MMP2MMP3MMP9HPGD
SCHEMBL1378426 0.81 MMP2 (0.50) MMP13MMP2MMP3MMP9CA9
SCHEMBL5031626 0.80 MMP2 (0.49) MMP13MMP2MMP3MMP9CA9
SCHEMBL5034745 0.80 TPSAB1 (0.55) MMP13MMP2MMP3MMP9TPSAB1
SCHEMBL1381142 0.79 MMP2 (0.41) MMP13MMP2MMP3MMP9HPGD
SCHEMBL3718689 0.78 MMP2 (0.53) MMP13MMP2MMP3MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1918278-A1 Sulfonylamino derivatives which inhibit matrix-degrading metalloproteinases Novartis AG (CH) 2008-05-07 EP disclosed
US-6410580-B1 ANTIINFLAMMATORY AGENTS, RHEUMATIC DISEASES NOVARTIS AG (CH) 2002-06-25 US disclosed
US-6277987-B1 FOR INHIBITING MATRIX-DEGRADING METALLOPROTEINASES IN MAMMALS NOVARTIS AG (CH) 2001-08-21 US disclosed