SCHEMBL1844889

SCHEMBL1844889

COc1ccc(-c2ccc(CC[C@@H](O)[C@H](CCn3nnc4cc(OC)ccc4c3=O)C(=O)O)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 11/20 0.49
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.43
MMP1 P03956 3/20 0.42
MMP2 P08253 3/20 0.42
MMP3 P08254 3/20 0.42
MMP9 P14780 3/20 0.42
MMP13 P45452 3/20 0.42
CYP3A4 P08684 2/20 0.41
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 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
SCHEMBL1844212 0.93 CYP3A4 (0.49) GPR139ALDH1A1HPGDMMP1MMP2
SCHEMBL1843453 0.93 GPR139 (0.45) GPR139ALDH1A1HPGDMMP1MMP2
SCHEMBL1842938 0.93 GPR139 (0.53) GPR139ALDH1A1HPGDMMP1MMP2
SCHEMBL1842985 0.93 GPR139 (0.42) GPR139ALDH1A1HPGDMMP1MMP2
SCHEMBL1844046 0.92 GPR139 (0.42) GPR139ALDH1A1HPGDMMP1MMP2
SCHEMBL1841392 0.91 GPR139 (0.55) GPR139ALDH1A1HPGDMMP1MMP2
SCHEMBL1844605 0.91 GPR139 (0.55) GPR139ALDH1A1HPGDMMP1MMP2
SCHEMBL379526 0.91 GPR139 (0.55) GPR139ALDH1A1HPGDMMP1MMP2
SCHEMBL4212980 0.91 GPR139 (0.55) GPR139ALDH1A1HPGDMMP1MMP2
SCHEMBL1844453 0.89 GPR139 (0.51) GPR139ALDH1A1HPGDMMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130302378-A1 MATRIX METALLOPROTEINASE INHIBITORS SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2013-11-14 US claimed
EP-2074093-B1 PROCESS FOR PREPARING MATRIX METALLOPROTEINASE INHIBITORS AND CHIRAL AUXILIARY THEREFOR RANBAXY LAB LTD (IN) 2012-10-10 EP claimed
EP-2474531-A2 Matrix metalloproteinase inhibitors Ranbaxy Laboratories Limited (IN) 2012-07-11 EP claimed
EP-2322507-A1 Matrix metalloproteinase inhibitors Ranbaxy Laboratories Limited (IN) 2011-05-18 EP claimed
US-20100081610-A1 MATRIX METALLOPROTEINASE INHIBITORS SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2010-04-01 US claimed
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
EP-2074093-A2 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2009-07-01 EP disclosed
WO-2008023336-A2 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2008-02-28 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 (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 2210/4885ALDH1A1 985/4885HPGD 65/4885
US-20130295141-A1 MATRIX METALLOPROTEINASE INHIBITORS MMP9, MMP8, MMP25 GPR139 2210/4885ALDH1A1 985/4885HPGD 65/4885
US-20100081610-A1 MATRIX METALLOPROTEINASE INHIBITORS MMP9, MMP8, MMP12 GPR139 2377/4885ALDH1A1 1056/4885HPGD 69/4885

“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.