SCHEMBL877286

SCHEMBL877286

COc1ccc2c(=O)n(CCC(Sc3ccc(-c4ccc(C)c(F)c4)cc3)C(=O)O)nnc2c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 8/20 0.43
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MMP2 P08253 6/20 0.39
MMP9 P14780 6/20 0.39
MMP3 P08254 4/20 0.39
MMP13 P45452 4/20 0.39
PPARG P37231 3/20 0.39
PPARA Q07869 3/20 0.39
MMP1 P03956 3/20 0.39
ALOX5 P09917 2/20 0.39
PTGES O14684 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL15733169 0.94 GPR139 (0.43) GPR139ALDH1A1SMN1; SMN2MMP2MMP9
SCHEMBL878063 0.94 GPR139 (0.43) GPR139ALDH1A1SMN1; SMN2MMP2MMP9
SCHEMBL877105 0.92 GPR139 (0.43) GPR139ALDH1A1SMN1; SMN2MMP2MMP9
SCHEMBL875077 0.91 GPR139 (0.51) GPR139ALDH1A1SMN1; SMN2MMP2MMP9
SCHEMBL877415 0.88 GPR139 (0.45) GPR139ALDH1A1SMN1; SMN2MMP2MMP9
SCHEMBL874630 0.88 MMP2 (0.47) GPR139ALDH1A1SMN1; SMN2MMP2MMP9
SCHEMBL877330 0.88 MMP2 (0.47) GPR139ALDH1A1SMN1; SMN2MMP2MMP9
SCHEMBL15733191 0.87 GPR139 (0.43) GPR139ALDH1A1SMN1; SMN2MMP2MMP9
SCHEMBL878203 0.87 GPR139 (0.46) GPR139ALDH1A1SMN1; SMN2MMP2MMP9
SCHEMBL878291 0.87 GPR139 (0.55) GPR139ALDH1A1SMN1; SMN2MMP2MMP9

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 2694/4885ALDH1A1 2281/4885SMN1; SMN2 3367/4885

“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.