SCHEMBL3710102

SCHEMBL3710102

CCCCC(NC(=O)OC(C)(C)C)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 6/20 0.54
MMP9 P14780 2/20 0.48
CTSK P43235 9/20 0.46
MMP3 P08254 3/20 0.46
MMP2 P08253 2/20 0.46
ADAMTS4 O75173 1/20 0.46
MMP1 P03956 1/20 0.46
MMP7 P09237 1/20 0.46
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
BCL2 P10415 2/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42

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
SCHEMBL3718689 0.74 MMP2 (0.53) MMP13MMP9MMP3MMP2ADAMTS4
SCHEMBL569561 0.74 MMP9 (0.49) MMP13MMP9MMP3MMP2ADAMTS4
SCHEMBL18019119 0.73 MMP13 (0.65) MMP13MMP9CTSKMMP3MMP2
SCHEMBL3708023 0.73 MMP13 (0.45) MMP13MMP9MMP3MMP2ADAMTS4
SCHEMBL569559 0.73 CA1 (0.65) MMP13MMP2ADAMTS4MMP1ALDH1A1
SCHEMBL28244975 0.72 CTSK (0.59) CTSK
SCHEMBL569562 0.72 CA12 (0.65) MMP13MMP2ADAMTS4MMP1ALDH1A1
SCHEMBL569947 0.72 CA12 (0.65) MMP13MMP2ADAMTS4MMP1ALDH1A1
SCHEMBL5239891 0.72 CNR2 (0.52) MMP13MMP9MMP3MMP2MMP1
SCHEMBL7354064 0.70 MMP9 (0.69) MMP13MMP9MMP3MMP2ADAMTS4

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-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