SCHEMBL379918

SCHEMBL379918

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

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.53
GPR139 Q6DWJ6 4/20 0.51
MMP2 P08253 5/20 0.49
MMP3 P08254 5/20 0.49
MMP9 P14780 5/20 0.49
MMP13 P45452 5/20 0.49
MMP1 P03956 4/20 0.49
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL1841892 1.00 SMN1; SMN2 (0.53) SMN1; SMN2GPR139MMP2MMP3MMP9
SCHEMBL1841540 0.94 GPR139 (0.57) SMN1; SMN2GPR139MMP2MMP3MMP9
SCHEMBL4216415 0.94 GPR139 (0.57) SMN1; SMN2GPR139MMP2MMP3MMP9
SCHEMBL379512 0.94 GPR139 (0.57) SMN1; SMN2GPR139MMP2MMP3MMP9
SCHEMBL5514590 0.93 GPR139 (0.51) SMN1; SMN2GPR139MMP2MMP3MMP9
SCHEMBL1844872 0.91 SMN1; SMN2 (0.54) SMN1; SMN2GPR139MMP2MMP3MMP9
SCHEMBL1841923 0.91 SMN1; SMN2 (0.54) SMN1; SMN2GPR139MMP2MMP3MMP9
SCHEMBL4221498 0.91 SMN1; SMN2 (0.54) SMN1; SMN2GPR139MMP2MMP3MMP9
SCHEMBL4210499 0.91 MMP2 (0.49) SMN1; SMN2GPR139MMP2MMP3MMP9
SCHEMBL1841931 0.91 MMP2 (0.49) SMN1; SMN2GPR139MMP2MMP3MMP9

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 SMN1; SMN2 3836/4885GPR139 873/4885MMP2 56/4885

“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.