SCHEMBL874325

SCHEMBL874325

Cn1cc(-c2ccc(CCS(=O)(=O)C(CCn3nnc4ccccc4c3=O)C(=O)O)cc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.46
MMP3 P08254 7/20 0.46
MMP9 P14780 7/20 0.46
MMP13 P45452 7/20 0.46
GPR139 Q6DWJ6 5/20 0.46
MMP1 P03956 4/20 0.45
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
EP300 Q09472 1/20 0.39

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
SCHEMBL877246 0.89 GPR139 (0.52) MMP2MMP3MMP9MMP13GPR139
SCHEMBL877177 0.89 GPR139 (0.49) MMP2MMP3MMP9MMP13GPR139
SCHEMBL876867 0.87 MMP2 (0.58) MMP2MMP3MMP9MMP13GPR139
SCHEMBL877702 0.85 MMP2 (0.55) MMP2MMP3MMP9MMP13GPR139
SCHEMBL877651 0.85 MMP2 (0.46) MMP2MMP3MMP9MMP13GPR139
SCHEMBL877242 0.84 MMP2 (0.47) MMP2MMP3MMP9MMP13GPR139
SCHEMBL877300 0.84 GPR139 (0.45) MMP2MMP3MMP9MMP13GPR139
SCHEMBL1843081 0.83 GPR139 (0.47) MMP2MMP3MMP9MMP13GPR139
SCHEMBL4204897 0.83 GPR139 (0.47) MMP2MMP3MMP9MMP13GPR139
SCHEMBL4204895 0.83 GPR139 (0.47) MMP2MMP3MMP9MMP13GPR139

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 17/4885MMP3 4/4885MMP9 1/4885

“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.