SCHEMBL874394

SCHEMBL874394

O=C(O)C(CCn1ncc2ccccc2c1=O)OCc1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.53
PPARA Q07869 4/20 0.53
MMP2 P08253 4/20 0.51
MMP3 P08254 4/20 0.51
MMP9 P14780 4/20 0.51
MMP13 P45452 4/20 0.51
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
MITF O75030 1/20 0.45
PKM P14618 1/20 0.45
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MMP1 P03956 2/20 0.41
APOBEC3G Q9HC16 1/20 0.39
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 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
SCHEMBL15733161 0.86 MMP2 (0.57) PPARGPPARAMMP2MMP3MMP9
SCHEMBL875126 0.83 MMP2 (0.59) PPARGPPARAMMP2MMP3MMP9
SCHEMBL6300876 0.78 MMP2 (0.54) MMP2MMP3MMP9MMP13NPC1
SCHEMBL6300681 0.78 MMP2 (0.54) MMP2MMP3MMP9MMP13NPC1
SCHEMBL6299859 0.78 MMP2 (0.54) MMP2MMP3MMP9MMP13NPC1
SCHEMBL875463 0.77 PPARG (0.53) PPARGPPARAMMP2MMP3MMP9
SCHEMBL8126626 0.76 NPC1 (0.63) PPARGPPARAMMP2MMP3MMP9
SCHEMBL875547 0.75 PPARG (0.53) PPARGPPARAALDH1A1MAPT
SCHEMBL874780 0.74 PPARG (0.49) PPARGPPARAMMP2MMP3MMP9
SCHEMBL379396 0.73 MMP2 (0.53) MMP2MMP3MMP9MMP13NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140148459-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2014-05-29 US claimed
EP-2619185-A1 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2013-07-31 EP claimed
WO-2012038942-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-03-29 WO claimed
US-20140148459-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2014-05-29 US disclosed
EP-2619185-A1 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2013-07-31 EP disclosed
WO-2012038942-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-03-29 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-20140148459-A1 MATRIX METALLOPROTEINASE INHIBITORS MMP9, MMP12, MMP10 PPARG 891/4885PPARA 1792/4885MMP2 17/4885

“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.