SCHEMBL379485

SCHEMBL379485

O=C(O)C(CCn1nnc2ccccc2c1=O)C(O)CCc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 6/20 0.50
MMP2 P08253 5/20 0.50
MMP3 P08254 5/20 0.50
MMP9 P14780 5/20 0.50
MMP13 P45452 5/20 0.50
MMP1 P03956 4/20 0.50
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 2/20 0.41
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL1844146 0.92 GPR139 (0.51) GPR139MMP2MMP3MMP9MMP13
SCHEMBL1841540 0.89 GPR139 (0.57) GPR139MMP2MMP3MMP9MMP13
SCHEMBL4216415 0.89 GPR139 (0.57) GPR139MMP2MMP3MMP9MMP13
SCHEMBL379512 0.89 GPR139 (0.57) GPR139MMP2MMP3MMP9MMP13
SCHEMBL1844598 0.89 GPR139 (0.48) GPR139MMP2MMP3MMP9MMP13
SCHEMBL1841392 0.89 GPR139 (0.55) GPR139MMP2MMP3MMP9MMP13
SCHEMBL4222057 0.89 GPR139 (0.48) GPR139MMP2MMP3MMP9MMP13
SCHEMBL379526 0.89 GPR139 (0.55) GPR139MMP2MMP3MMP9MMP13
SCHEMBL4212980 0.89 GPR139 (0.55) GPR139MMP2MMP3MMP9MMP13
SCHEMBL379750 0.89 GPR139 (0.48) 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 8 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
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.