SCHEMBL5500882

SCHEMBL5500882

CCCCCC#C[C](O)CS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44
MAPT P10636 2/20 0.43
THRB P10828 2/20 0.43
GAA P10253 1/20 0.43
DRD2 P14416 1/20 0.43
TP53 P04637 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 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
SCHEMBL5506031 0.89 THRB (0.46) LMNASMN1; SMN2ALDH1A1MAPTTHRB
SCHEMBL5505818 0.84 TP53 (0.43) LMNAALDH1A1MAPTTHRBDRD2
SCHEMBL5507798 0.84 MMP3 (0.45) SMN1; SMN2ALDH1A1MAPTTHRBDRD2
SCHEMBL16493588 0.84 LMNA (0.51) LMNATSHRSMN1; SMN2ALDH1A1PKM
SCHEMBL5505149 0.82 GAA (0.50) LMNATSHRSMN1; SMN2ALDH1A1MAPT
SCHEMBL16493587 0.80 LMNA (0.47) LMNATSHRSMN1; SMN2ALDH1A1PKM
SCHEMBL2155437 0.78 TP53 (0.44) LMNATSHRSMN1; SMN2MAPTTHRB
SCHEMBL27713759 0.77 TP53 (0.43) LMNATSHRSMN1; SMN2MAPTTHRB
SCHEMBL2154953 0.76 TP53 (0.44) LMNATSHRSMN1; SMN2MAPTTHRB
SCHEMBL2156078 0.76 MAPT (0.54) LMNATSHRSMN1; SMN2ALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828160-B1 SULFONYL AMINO CYCLIC DERIVATIVES AND USE THEREOF AS MMP INHIBITORS MERCK SERONO SA (CH) 2011-12-14 EP claimed
EP-1828160-A1 SULFONYL AMINO CYCLIC DERIVATIVES AND USE THEREOF AS MMP INHIBITORS LABORATOIRES SERONO S.A. (CH) 2007-09-05 EP claimed
WO-2006067114-A1 SULFONYL AMINO CYCLIC DERIVATIVES AND USE THEREOF LABORATOIRES SERONO S.A. (CH) 2006-06-29 WO claimed
EP-1828160-A1 SULFONYL AMINO CYCLIC DERIVATIVES AND USE THEREOF AS MMP INHIBITORS LABORATOIRES SERONO S.A. (CH) 2007-09-05 EP disclosed
WO-2006067114-A1 SULFONYL AMINO CYCLIC DERIVATIVES AND USE THEREOF LABORATOIRES SERONO S.A. (CH) 2006-06-29 WO disclosed