SCHEMBL379618

SCHEMBL379618

COc1ccc(-c2ccc(CCC(O)C(CCN3C(=O)c4ccc(C)cc4C3=O)C(=O)O)cc2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA9 Q16790 1/20 0.39
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
KDR P35968 2/20 0.38
TEK Q02763 1/20 0.38
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
KIT P10721 1/20 0.36
PDE10A Q9Y233 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PIK3CA P42336 2/20 0.35
ALOX5AP P20292 1/20 0.34

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
SCHEMBL4208549 1.00 CA1 (0.39) CA1CA2CA4CA9MMP2
SCHEMBL1843133 1.00 CA1 (0.39) CA1CA2CA4CA9MMP2
SCHEMBL4927004 0.90 MMP2 (0.45) MMP2MMP9KDRKDM4EUSP2
SCHEMBL1844730 0.90 MMP2 (0.45) MMP2MMP9KDRKDM4EUSP2
SCHEMBL4932775 0.90 MMP2 (0.45) MMP2MMP9KDRKDM4EUSP2
SCHEMBL4932227 0.90 MMP2 (0.45) MMP2MMP9KDRKDM4EUSP2
SCHEMBL4922678 0.90 MMP2 (0.45) MMP2MMP9KDRKDM4EUSP2
SCHEMBL4212827 0.90 CA1 (0.41) CA1CA2CA4CA9MMP2
SCHEMBL4212826 0.90 CA1 (0.41) CA1CA2CA4CA9MMP2
SCHEMBL1841166 0.90 CA1 (0.41) CA1CA2CA4CA9MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CA1 2298/4885CA2 1072/4885CA4 426/4885

“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.