SCHEMBL878138

SCHEMBL878138

COc1ccc(-c2ccc(SC(CCn3nnc4cc(Cl)ccc4c3=O)C(=O)O)cc2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.42
MMP9 P14780 8/20 0.42
MMP3 P08254 6/20 0.42
MMP13 P45452 6/20 0.42
PTGES O14684 1/20 0.41
MMP1 P03956 5/20 0.41
EIF4EBP1 Q13541 1/20 0.38
GPR139 Q6DWJ6 2/20 0.38
MAPT P10636 5/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MCHR1 Q99705 1/20 0.35

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
SCHEMBL877105 0.91 GPR139 (0.43) MMP2MMP9MMP3MMP13PTGES
SCHEMBL874628 0.91 GPR139 (0.41) MMP2MMP9MMP3MMP13MMP1
SCHEMBL877842 0.90 MMP2 (0.47) MMP2MMP9MMP3MMP13MMP1
SCHEMBL875135 0.89 GPR139 (0.41) MMP2MMP9MMP3MMP13PTGES
SCHEMBL877962 0.86 NPSR1 (0.42) MMP2MMP9MMP3MMP13PTGES
SCHEMBL876852 0.86 GPR139 (0.41) MMP2MMP9MMP3MMP13MMP1
SCHEMBL12473122 0.86 MMP2 (0.38) MMP2MMP9MMP3MMP13PTGES
SCHEMBL874630 0.85 MMP2 (0.47) MMP2MMP9MMP3MMP13PTGES
SCHEMBL877415 0.84 GPR139 (0.45) MMP2MMP9MMP3MMP13PTGES
SCHEMBL15733169 0.83 GPR139 (0.43) MMP2MMP9MMP3MMP13PTGES

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.