SCHEMBL4834723

SCHEMBL4834723

CC(C)C(NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.67
GPR27 Q9NS67 7/20 0.64
AVPR2 P30518 2/20 0.64
MMP2 P08253 7/20 0.63
MMP9 P14780 5/20 0.63
MMP1 P03956 1/20 0.61
MMP3 P08254 1/20 0.61
MMP7 P09237 1/20 0.61
MMP13 P45452 1/20 0.61
ADAMTS4 O75173 1/20 0.58
MAPT P10636 1/20 0.57
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54

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
SCHEMBL4828284 1.00 GAA (0.67) GAAGPR27AVPR2MMP2MMP9
SCHEMBL4826473 0.89 GAA (0.65) GAAGPR27AVPR2MMP2MMP9
SCHEMBL4826470 0.89 GAA (0.65) GAAGPR27AVPR2MMP2MMP9
SCHEMBL4832693 0.89 GAA (0.70) GAAGPR27AVPR2MAPTMEN1
SCHEMBL4832700 0.89 GAA (0.70) GAAGPR27AVPR2MAPTMEN1
SCHEMBL4867851 0.84 GAA (0.64) GAAGPR27AVPR2MMP2MMP9
SCHEMBL4867847 0.84 GAA (0.64) GAAGPR27AVPR2MMP2MMP9
SCHEMBL4826202 0.82 GAA (0.64) GAAGPR27AVPR2MMP2MMP3
SCHEMBL4828226 0.82 GAA (0.67) GAAGPR27AVPR2MAPTMEN1
SCHEMBL4828227 0.82 GAA (0.67) GAAGPR27AVPR2MAPTMEN1

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
US-6403644-B1 FOR PREVENTION AND/OR TREATMENT OF DISEASES INDUCED BY OVEREXPRESSION AND EXCESS ACTIVITY OF MATRIX METALLOPROTEINASE; FOR EXAMPLE, RHEUMATOID, ARTHROSTEITIS, UNUSUAL BONE RESORPTION, OSTEOPOROSIS, PERIODONTITIS ONO PHARMACEUTICAL CO., LTD. (JP) 2002-06-11 US claimed
EP-0757037-A2 Sulfonylamino acid derivatives as metalloproteinase inhibitors ONO PHARMACEUTICAL CO., LTD. (JP) 1997-02-05 EP claimed
US-7335686-B2 Method and composition for treating osteoporosis COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2008-02-26 US disclosed