SCHEMBL876989

SCHEMBL876989

COc1ccc2c(=O)n(CCC(C(=O)O)S(=O)(=O)c3ccc(-c4ccc(OC)c(OC)c4)cc3)nnc2c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.49
MMP9 P14780 8/20 0.49
GPR139 Q6DWJ6 6/20 0.44
NPSR1 Q6W5P4 1/20 0.43
MMP1 P03956 2/20 0.40
MMP3 P08254 2/20 0.40
MMP13 P45452 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MCHR1 Q99705 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PLAU P00749 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL877450 0.93 MMP2 (0.56) MMP2MMP9GPR139NPSR1MMP1
SCHEMBL877354 0.93 MMP2 (0.47) MMP2MMP9GPR139NPSR1MMP1
SCHEMBL874496 0.90 MMP2 (0.51) MMP2MMP9GPR139MMP1MMP3
SCHEMBL877879 0.89 MMP2 (0.49) MMP2MMP9GPR139NPSR1MMP1
SCHEMBL878164 0.89 MMP2 (0.50) MMP2MMP9GPR139NPSR1MMP1
SCHEMBL877623 0.88 MMP2 (0.47) MMP2MMP9GPR139NPSR1MMP1
SCHEMBL875117 0.88 GPR139 (0.55) MMP2MMP9GPR139MMP1MMP3
SCHEMBL15733202 0.88 GPR139 (0.55) MMP2MMP9GPR139NPSR1MMP1
SCHEMBL878013 0.86 MMP2 (0.47) MMP2MMP9GPR139NPSR1MMP1
SCHEMBL875006 0.86 MMP2 (0.56) MMP2MMP9GPR139NPSR1MMP1

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 1/4885GPR139 2694/4885

“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.