SCHEMBL1845323

SCHEMBL1845323

COc1ccc2nnn(CC[C@H](C(=O)O)[C@H](O)CCc3ccc(-c4ccc(Cl)cc4)cc3)c(=O)c2c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.47
MMP3 P08254 5/20 0.47
MMP9 P14780 5/20 0.47
MMP13 P45452 5/20 0.47
MMP1 P03956 3/20 0.47
GPR139 Q6DWJ6 9/20 0.46
ALDH1A1 P00352 1/20 0.40
AKR1B10 O60218 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
DHODH Q02127 1/20 0.38

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
SCHEMBL1843453 0.95 GPR139 (0.45) MMP2MMP3MMP9MMP13MMP1
SCHEMBL1844453 0.92 GPR139 (0.51) MMP2MMP3MMP9MMP13MMP1
SCHEMBL1840695 0.92 GPR139 (0.46) MMP2MMP3MMP9MMP13MMP1
SCHEMBL1847367 0.91 GPR139 (0.41) MMP2MMP3MMP9MMP13MMP1
SCHEMBL1844212 0.90 CYP3A4 (0.49) MMP2MMP3MMP9MMP13MMP1
SCHEMBL1841375 0.90 GPR139 (0.53) MMP2MMP3MMP9MMP13MMP1
SCHEMBL1846625 0.90 GPR139 (0.53) MMP2MMP3MMP9MMP13MMP1
SCHEMBL1841597 0.90 P2RX3 (0.42) MMP2MMP3MMP9MMP13MMP1
SCHEMBL1842440 0.89 GPR139 (0.42) MMP2MMP3MMP9MMP13MMP1
SCHEMBL1843852 0.89 GPR139 (0.40) MMP2MMP3MMP9MMP13MMP1

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 MMP2 11/4885MMP3 10/4885MMP9 1/4885
US-20130295141-A1 MATRIX METALLOPROTEINASE INHIBITORS MMP9, MMP8, MMP25 MMP2 11/4885MMP3 10/4885MMP9 1/4885
US-20100081610-A1 MATRIX METALLOPROTEINASE INHIBITORS MMP9, MMP8, MMP12 MMP2 11/4885MMP3 10/4885MMP9 1/4885

“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.