SCHEMBL5034745

SCHEMBL5034745

CC(C)(C)OC(=O)N[C@H](CCCN1C(=O)c2ccccc2S1(=O)=O)C(=O)OC(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 3/20 0.55
TPSD1 Q9BZJ3 3/20 0.55
TPSG1 Q9NRR2 3/20 0.55
CA9 Q16790 8/20 0.50
CA12 O43570 7/20 0.50
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
KDM4E B2RXH2 1/20 0.47
CA2 P00918 4/20 0.47
ELANE P08246 1/20 0.47
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
MMP2 P08253 1/20 0.44
MMP3 P08254 1/20 0.44
MMP9 P14780 1/20 0.44
MMP13 P45452 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL5033315 0.83 CA9 (0.54) TPSAB1TPSD1TPSG1CA9CA12
SCHEMBL5033293 0.82 MMP2 (0.46) HDAC1HDAC2MMP2MMP3MMP9
SCHEMBL5036997 0.80 MMP13 (0.44) TPSAB1TPSD1TPSG1CA9CA12
SCHEMBL8282041 0.78 TPSAB1 (0.54) TPSAB1TPSD1TPSG1CA9CA12
SCHEMBL13622671 0.78 TPSAB1 (0.54) TPSAB1TPSD1TPSG1CA9CA12
SCHEMBL14969045 0.73 GAA (0.43) GAA
SCHEMBL31649378 0.73 ALDH1A1 (0.51) HDAC1MMP2MMP3MMP9MMP13
SCHEMBL2640680 0.73 ALDH1A1 (0.51) HDAC1MMP2MMP3MMP9MMP13
SCHEMBL2640679 0.73 ALDH1A1 (0.51) HDAC1MMP2MMP3MMP9MMP13
SCHEMBL7393272 0.73 HTR1A (0.52) TPSAB1TPSD1TPSG1

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