SCHEMBL877177

SCHEMBL877177

CCc1ccc(-c2ccc(CCS(=O)(=O)C(CCn3nnc4ccccc4c3=O)C(=O)O)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 5/20 0.49
MMP2 P08253 6/20 0.48
MMP3 P08254 6/20 0.48
MMP9 P14780 6/20 0.48
MMP13 P45452 6/20 0.48
MMP1 P03956 4/20 0.48
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.44
LMNA P02545 2/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL877246 0.93 GPR139 (0.52) GPR139MMP2MMP3MMP9MMP13
SCHEMBL876867 0.91 MMP2 (0.58) GPR139MMP2MMP3MMP9MMP13
SCHEMBL874325 0.89 MMP2 (0.46) GPR139MMP2MMP3MMP9MMP13
SCHEMBL877702 0.89 MMP2 (0.55) GPR139MMP2MMP3MMP9MMP13
SCHEMBL874844 0.88 KMT2A (0.46) GPR139ALDH1A1KMT2AKDM4EMEN1
SCHEMBL874975 0.88 GPR139 (0.51) GPR139MMP2MMP3MMP9MMP13
SCHEMBL877242 0.88 MMP2 (0.47) GPR139MMP2MMP3MMP9MMP13
SCHEMBL877300 0.87 GPR139 (0.45) GPR139MMP2MMP3MMP9MMP13
SCHEMBL877073 0.87 MMP2 (0.48) GPR139MMP2MMP3MMP9MMP13
SCHEMBL877651 0.87 MMP2 (0.46) GPR139MMP2MMP3MMP9MMP13

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 GPR139 2694/4885MMP2 17/4885MMP3 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.