SCHEMBL1845137

SCHEMBL1845137

O=C(O)[C@@H](Cn1nnc2ccccc2c1=O)[C@H](O)CCc1ccc(-c2cc(F)cc(F)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 5/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MMP2 P08253 4/20 0.42
MMP3 P08254 4/20 0.42
MMP9 P14780 4/20 0.42
MMP13 P45452 4/20 0.42
MMP1 P03956 2/20 0.42
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL4221194 1.00 GPR139 (0.49) GPR139SMN1; SMN2GAAL3MBTL1MMP2
SCHEMBL4215503 1.00 GPR139 (0.49) GPR139SMN1; SMN2GAAL3MBTL1MMP2
SCHEMBL4221498 0.94 SMN1; SMN2 (0.54) GPR139SMN1; SMN2GAAL3MBTL1MMP2
SCHEMBL1844872 0.94 SMN1; SMN2 (0.54) GPR139SMN1; SMN2GAAL3MBTL1MMP2
SCHEMBL1841923 0.94 SMN1; SMN2 (0.54) GPR139SMN1; SMN2GAAL3MBTL1MMP2
SCHEMBL1843461 0.90 GPR139 (0.48) GPR139SMN1; SMN2GAAL3MBTL1MMP2
SCHEMBL4207223 0.90 GPR139 (0.48) GPR139SMN1; SMN2GAAL3MBTL1MMP2
SCHEMBL1842858 0.90 GPR139 (0.47) GPR139SMN1; SMN2GAAL3MBTL1MMP2
SCHEMBL4566786 0.90 GPR139 (0.47) GPR139SMN1; SMN2GAAL3MBTL1MMP2
SCHEMBL4566787 0.90 GPR139 (0.47) GPR139SMN1; SMN2GAAL3MBTL1MMP2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846910-B2 Matrix metalloproteinase inhibitors RANBAXY LABORATORIES LIMITED (IN) 2014-09-30 US disclosed
US-8816073-B2 Matrix metalloproteinase inhibitors RANBAXY LABORATORIES LIMITED (IN) 2014-08-26 US disclosed
US-20130302378-A1 MATRIX METALLOPROTEINASE INHIBITORS SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2013-11-14 US disclosed
US-20130295141-A1 MATRIX METALLOPROTEINASE INHIBITORS SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2013-11-07 US disclosed
US-8507670-B2 Matrix metalloproteinase inhibitors RANBAXY LABORATORIES LIMITED (IN) 2013-08-13 US disclosed
EP-2074093-B1 PROCESS FOR PREPARING MATRIX METALLOPROTEINASE INHIBITORS AND CHIRAL AUXILIARY THEREFOR RANBAXY LAB LTD (IN) 2012-10-10 EP disclosed
EP-2474531-A2 Matrix metalloproteinase inhibitors Ranbaxy Laboratories Limited (IN) 2012-07-11 EP disclosed
EP-2322507-A1 Matrix metalloproteinase inhibitors Ranbaxy Laboratories Limited (IN) 2011-05-18 EP disclosed
US-20100081610-A1 MATRIX METALLOPROTEINASE INHIBITORS SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2010-04-01 US 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 (3 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-20130302378-A1 MATRIX METALLOPROTEINASE INHIBITORS MMP9, MMP8, MMP25 GPR139 2210/4885SMN1; SMN2 3690/4885GAA 614/4885
US-20130295141-A1 MATRIX METALLOPROTEINASE INHIBITORS MMP9, MMP8, MMP25 GPR139 2210/4885SMN1; SMN2 3690/4885GAA 614/4885
US-20100081610-A1 MATRIX METALLOPROTEINASE INHIBITORS MMP9, MMP8, MMP12 GPR139 2377/4885SMN1; SMN2 3816/4885GAA 510/4885

“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.