SCHEMBL3856155

SCHEMBL3856155

Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1.O=C(Cl)Cl

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 10/20 0.73
MMP9 P14780 10/20 0.73
ADAMTS4 O75173 1/20 0.73
TDP1 Q9NUW8 1/20 0.73
ADAMTS5 Q9UNA0 1/20 0.69
ALDH1A1 P00352 1/20 0.69
MAPT P10636 1/20 0.69
POLB P06746 1/20 0.69
MMP1 P03956 1/20 0.65
MMP3 P08254 1/20 0.65
MMP7 P09237 1/20 0.65
MMP13 P45452 1/20 0.65
CTSL P07711 1/20 0.58
CA2 P00918 1/20 0.57
CA7 P43166 1/20 0.57

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
SCHEMBL561565 0.96 MMP2 (0.71) MMP2MMP9ADAMTS4TDP1ADAMTS5
SCHEMBL433897 0.96 MMP2 (0.71) MMP2MMP9ADAMTS4TDP1ADAMTS5
Chloromethane SCHEMBL7649372 0.96 MMP2 (0.75) MMP2MMP9ADAMTS4TDP1ADAMTS5
SCHEMBL1203540 0.96 MMP2 (0.79) MMP2MMP9ADAMTS4TDP1ADAMTS5
SCHEMBL697476 0.96 MMP2 (0.79) MMP2MMP9ADAMTS4TDP1ADAMTS5
SCHEMBL697477 0.96 MMP2 (0.79) MMP2MMP9ADAMTS4TDP1ADAMTS5
Hydrochloric Acid SCHEMBL3839410 0.95 MMP2 (0.77) MMP2MMP9ADAMTS4TDP1ADAMTS5
Hydrochloric Acid SCHEMBL11133046 0.95 MMP2 (0.77) MMP2MMP9ADAMTS4TDP1ADAMTS5
SCHEMBL8965755 0.94 MMP9 (0.69) MMP2MMP9ADAMTS4TDP1ADAMTS5
Hydrochloric Acid SCHEMBL28872216 0.93 MMP2 (0.75) MMP2MMP9ADAMTS4TDP1ADAMTS5

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-7588887-B2 Stable isotope metabolic labeling for analysis of biopolymers THE REGENTS OF THE UNIVERSITY OF WASHINGTON (US) 2009-09-15 US disclosed
US-20050003375-A1 Stable isotope metabolic labeling for analysis of biopolymers UNIVERSITY OF WASHINGTON (US) 2005-01-06 US disclosed
US-6653076-B1 Determining the rate of synthesis by incubating cells and monomers to allow their incorporation; isolating at different times and calculating the difference between abundance of monoisotopic and isotopomeric peaks THE REGENTS OF THE UNIVERSITY OF WASHINGTON 2003-11-25 US disclosed
WO-2000013025-A1 STABLE ISOTOPE METABOLIC LABELING FOR ANALYSIS OF BIOPOLYMERS UNIVERSITY OF WASHINGTON (US) 2000-03-09 WO disclosed