SCHEMBL877962

SCHEMBL877962

COc1ccc2nnn(CCC(Sc3ccc(-c4ccc(OC)c(F)c4)cc3)C(=O)O)c(=O)c2c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.42
GPR139 Q6DWJ6 9/20 0.41
MMP2 P08253 6/20 0.41
MMP9 P14780 6/20 0.41
MMP3 P08254 4/20 0.41
MMP13 P45452 4/20 0.41
MMP1 P03956 3/20 0.41
ALOX5 P09917 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
FFAR1 O14842 1/20 0.37
PTGES O14684 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
SCHEMBL877105 0.94 GPR139 (0.43) NPSR1GPR139MMP2MMP9MMP3
SCHEMBL876597 0.94 GPR139 (0.42) NPSR1GPR139MMP2MMP9MMP3
SCHEMBL877298 0.93 GPR139 (0.42) NPSR1GPR139MMP2MMP9MMP3
SCHEMBL878063 0.92 GPR139 (0.43) NPSR1GPR139MMP2MMP9MMP3
SCHEMBL876852 0.92 GPR139 (0.41) NPSR1GPR139MMP2MMP9MMP3
SCHEMBL15733191 0.90 GPR139 (0.43) NPSR1GPR139MMP2MMP9MMP3
SCHEMBL877842 0.90 MMP2 (0.47) NPSR1GPR139MMP2MMP9MMP3
SCHEMBL876595 0.88 GPR139 (0.53) NPSR1GPR139MMP2MMP9MMP3
SCHEMBL877765 0.88 GPR139 (0.45) NPSR1GPR139MMP2MMP9MMP3
SCHEMBL875467 0.88 MMP2 (0.47) GPR139MMP2MMP9MMP3MMP13

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 NPSR1 903/4885GPR139 2694/4885MMP2 17/4885

“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.