SCHEMBL379512

SCHEMBL379512

O=C(O)C(CCn1nnc2ccccc2c1=O)C(O)CCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 4/20 0.57
MMP2 P08253 5/20 0.53
MMP3 P08254 5/20 0.53
MMP9 P14780 5/20 0.53
MMP13 P45452 5/20 0.53
MMP1 P03956 4/20 0.53
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL4216415 1.00 GPR139 (0.57) GPR139MMP2MMP3MMP9MMP13
SCHEMBL1841540 1.00 GPR139 (0.57) GPR139MMP2MMP3MMP9MMP13
SCHEMBL1843935 0.94 GPR139 (0.51) GPR139MMP2MMP3MMP9MMP13
SCHEMBL379164 0.94 MMP2 (0.60) GPR139MMP2MMP3MMP9MMP13
SCHEMBL4213831 0.94 GPR139 (0.53) GPR139MMP2MMP3MMP9MMP13
SCHEMBL5514590 0.94 GPR139 (0.51) GPR139MMP2MMP3MMP9MMP13
SCHEMBL379424 0.94 GPR139 (0.51) GPR139MMP2MMP3MMP9MMP13
SCHEMBL1841843 0.94 MMP2 (0.60) GPR139MMP2MMP3MMP9MMP13
SCHEMBL379712 0.94 GPR139 (0.53) GPR139MMP2MMP3MMP9MMP13
SCHEMBL4208281 0.94 MMP2 (0.60) GPR139MMP2MMP3MMP9MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8710261-B2 5-phenyl-pentanoic acid derivatives as matrix metalloproteinase inhibitors for the treatment of asthma and other diseases RANBAXY LABORATORIES LIMITED (IN) 2014-04-29 US claimed
EP-1856063-B1 5-PHENYL-PENTANOIC ACID DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS FOR THE TREATMENT OF ASTHMA AND OTHER DISEASES RANBAXY LAB LTD (IN) 2012-01-25 EP claimed
US-20080194565-A1 5-Phenyl-Pentanoic Acid Derivatives as Matrix Metalloproteinase Inhibitors for the Treatment of Asthma and Other Diseases SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2008-08-14 US claimed
EP-1856063-A1 5-PHENYL-PENTANOIC ACID DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS FOR THE TREATMENT OF ASTHMA AND OTHER DISEASES Ranbaxy Laboratories Limited (IN) 2007-11-21 EP claimed
WO-2006090235-A1 5-PHENYL-PENTANOIC ACID DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS FOR THE TREATMENT OF ASTHMA AND OTHER DISEASES RANBAXY LABORATORIES LIMITED (IN) 2006-08-31 WO claimed
US-8710261-B2 5-phenyl-pentanoic acid derivatives as matrix metalloproteinase inhibitors for the treatment of asthma and other diseases RANBAXY LABORATORIES LIMITED (IN) 2014-04-29 US disclosed
EP-1856063-B1 5-PHENYL-PENTANOIC ACID DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS FOR THE TREATMENT OF ASTHMA AND OTHER DISEASES RANBAXY LAB LTD (IN) 2012-01-25 EP disclosed
US-20080194565-A1 5-Phenyl-Pentanoic Acid Derivatives as Matrix Metalloproteinase Inhibitors for the Treatment of Asthma and Other Diseases SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2008-08-14 US disclosed
EP-1856063-A1 5-PHENYL-PENTANOIC ACID DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS FOR THE TREATMENT OF ASTHMA AND OTHER DISEASES Ranbaxy Laboratories Limited (IN) 2007-11-21 EP disclosed
WO-2006090235-A1 5-PHENYL-PENTANOIC ACID DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS FOR THE TREATMENT OF ASTHMA AND OTHER DISEASES RANBAXY LABORATORIES LIMITED (IN) 2006-08-31 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-20080194565-A1 5-Phenyl-Pentanoic Acid Derivatives as Matrix Metalloproteinase Inhibitors for the Treatment of Asthma and Other Diseases F2RL3, ACOX3, LPAR5 GPR139 873/4885MMP2 56/4885MMP3 27/4885

“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.