SCHEMBL878013

SCHEMBL878013

COc1ccc2nnn(CCC(C(=O)O)S(=O)(=O)c3ccc(-c4ccc(OC)c(F)c4)cc3)c(=O)c2c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 9/20 0.47
MMP9 P14780 9/20 0.47
NPSR1 Q6W5P4 1/20 0.42
GPR139 Q6DWJ6 8/20 0.41
MMP3 P08254 4/20 0.40
MMP13 P45452 4/20 0.40
MMP1 P03956 3/20 0.40
F11 P03951 1/20 0.37
FFAR1 O14842 1/20 0.36

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
SCHEMBL877354 0.94 MMP2 (0.47) MMP2MMP9NPSR1GPR139MMP3
SCHEMBL878062 0.94 MMP2 (0.49) MMP2MMP9NPSR1GPR139MMP3
SCHEMBL874990 0.92 MMP2 (0.44) MMP2MMP9NPSR1GPR139MMP3
SCHEMBL878325 0.92 MMP2 (0.47) MMP2MMP9NPSR1GPR139MMP3
SCHEMBL875006 0.91 MMP2 (0.56) MMP2MMP9NPSR1GPR139MMP3
SCHEMBL876941 0.91 MMP2 (0.47) MMP2MMP9NPSR1GPR139MMP3
SCHEMBL15735146 0.88 MMP2 (0.54) MMP2MMP9NPSR1GPR139MMP3
SCHEMBL877641 0.88 MMP2 (0.49) MMP2MMP9NPSR1GPR139MMP3
SCHEMBL878024 0.88 MMP2 (0.51) MMP2MMP9GPR139MMP3MMP13
SCHEMBL878115 0.87 GPR139 (0.55) MMP2MMP9GPR139MMP3MMP13

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 5 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
US-20130264547-A1 MATERIALS FOR AN ORGANIC ELECTROLUMINESCENCE ELEMENT, ELECTROLUMINESCENT, DISPLAY AND ILLUMINATING DEVICES USING THE ELEMENTS UDC IRELAND LIMITED (IE) 2013-10-10 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 1/4885NPSR1 903/4885

“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.