SCHEMBL878094

SCHEMBL878094

COc1cccc(-c2ccc(SC(CCn3nnc4ccccc4c3=O)C(=O)O)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.51
MMP9 P14780 5/20 0.51
MMP3 P08254 4/20 0.51
MMP13 P45452 4/20 0.51
MMP1 P03956 3/20 0.51
TSHR P16473 2/20 0.51
NPSR1 Q6W5P4 2/20 0.47
GPR139 Q6DWJ6 4/20 0.46
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
MAPT P10636 1/20 0.45
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL12472772 0.92 MMP2 (0.54) MMP2MMP9MMP3MMP13MMP1
SCHEMBL874192 0.89 MMP2 (0.56) MMP2MMP9MMP3MMP13MMP1
SCHEMBL875077 0.87 GPR139 (0.51) MMP2MMP9MMP3MMP13MMP1
SCHEMBL877842 0.86 MMP2 (0.47) MMP2MMP9MMP3MMP13MMP1
SCHEMBL875087 0.84 MMP2 (0.49) MMP2MMP9MMP3MMP13MMP1
SCHEMBL876595 0.84 GPR139 (0.53) MMP2MMP9MMP3MMP13MMP1
SCHEMBL15733031 0.84 MMP2 (0.51) MMP2MMP9MMP3MMP13MMP1
SCHEMBL877765 0.84 GPR139 (0.45) MMP2MMP9MMP3MMP13MMP1
SCHEMBL877415 0.84 GPR139 (0.45) MMP2MMP9MMP3MMP13MMP1
SCHEMBL878208 0.84 MMP2 (0.51) MMP2MMP9MMP3MMP13MMP1

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-20140148459-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2014-05-29 US claimed
US-20140148459-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2014-05-29 US disclosed
EP-2619185-A1 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2013-07-31 EP disclosed
WO-2012038942-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-03-29 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140148459-A1 MATRIX METALLOPROTEINASE INHIBITORS MMP9, MMP12, MMP10 MMP2 17/4885MMP9 1/4885MMP3 4/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.