SCHEMBL4677161

SCHEMBL4677161

O=C(O)O[C@@H]1CCCCN1S(=O)(=O)N1CC=C(c2ccc(F)c(Cl)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.41
MMP3 P08254 6/20 0.41
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
PTGDR Q13258 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
ADAMTS5 Q9UNA0 2/20 0.36
MMP14 P50281 1/20 0.36
KDM4E B2RXH2 2/20 0.34
SLC18A3 Q16572 1/20 0.34
THRB P10828 2/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.34
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL4671598 0.89 MMP2 (0.41) MMP2MMP3CCNT1CDK9GPR119
SCHEMBL4674088 0.87 MMP2 (0.43) MMP2MMP3CCNT1CDK9PTGDR
SCHEMBL4674089 0.87 MMP2 (0.43) MMP2MMP3CCNT1CDK9PTGDR
SCHEMBL7465557 0.77 LMNA (0.43) MMP2MMP3CCNT1CDK9GPR119
SCHEMBL4671682 0.76 MMP2 (0.43) MMP2MMP3CCNT1CDK9KDM4E
SCHEMBL4671681 0.76 MMP2 (0.43) MMP2MMP3CCNT1CDK9KDM4E
SCHEMBL4676047 0.72 MMP3 (0.46) MMP2MMP3CCNT1CDK9THRB
SCHEMBL4675047 0.71 MMP1 (0.48) MMP2MMP3ADAMTS5MMP14SLC18A3
SCHEMBL4671335 0.69 LMNA (0.42) MMP2MMP3KDM4ETHRBMAPT
SCHEMBL4674941 0.69 MMP1 (0.48) MMP2MMP3CCNT1CDK9KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0958287-B2 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-04-09 EP claimed
EP-0958287-B1 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2002-09-11 EP claimed