SCHEMBL3710092

SCHEMBL3710092

O=C(N[C@@H](CNC(=O)P(=O)(O)O)CNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 10/20 0.64
CA2 P00918 7/20 0.64
CA9 Q16790 7/20 0.64
CA12 O43570 6/20 0.59
CA1 P00915 6/20 0.59
MMP13 P45452 4/20 0.50
CASP1 P29466 1/20 0.46
ADAMTS4 O75173 3/20 0.43
MMP14 P50281 3/20 0.43
ADAMTS5 Q9UNA0 3/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
MMP1 P03956 2/20 0.43
MEP1B Q16820 1/20 0.43
SYK P43405 1/20 0.42
ELANE P08246 2/20 0.42
PRTN3 P24158 1/20 0.42
CTRB1 P17538 2/20 0.41
KLK1 P06870 1/20 0.40
MMP9 P14780 1/20 0.40

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
SCHEMBL3710096 1.00 MMP2 (0.64) MMP2CA2CA9CA12CA1
SCHEMBL3806694 1.00 MMP2 (0.64) MMP2CA2CA9CA12CA1
SCHEMBL10029089 0.92 MMP2 (0.53) MMP2CA2CA9CA12CA1
SCHEMBL569308 0.88 MMP2 (0.50) MMP2CA2CA9CA12CA1
SCHEMBL569487 0.88 MMP2 (0.50) MMP2CA2CA9CA12CA1
SCHEMBL16602231 0.87 MMP2 (0.49) MMP2CA2CA9CA12CA1
SCHEMBL568976 0.85 MMP13 (0.59) MMP2CA2CA9CA12CA1
SCHEMBL569735 0.85 MMP13 (0.59) MMP2CA2CA9CA12CA1
SCHEMBL568575 0.79 MMP2 (1.00) MMP2CA2CA9CA12CA1
SCHEMBL569320 0.79 MMP2 (1.00) MMP2CA2CA9CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993544-B2 Carbamoylphosphonates as inhibitors and uses thereof YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM, LTD. (IL) 2015-03-31 US disclosed
EP-2393495-B1 CARBAMOYLPHOSPHONATES AS INHIBITORS AND USES THEREOF YISSUM RES DEV CO (IL) 2014-07-23 EP disclosed
EP-2393495-A1 CARJBAMOYLPHOSPHONATES AS INHIBITORS AND USES THEREOF Yissum Research Development Company of the Hebrew University of Jerusalem, Ltd. (IL) 2011-12-14 EP disclosed
WO-2010089752-A1 CARJBAMOYLPHOSPHONATES AS INHIBITORS AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM, LTD. (IL) 2010-08-12 WO disclosed