SCHEMBL6245488

SCHEMBL6245488

COC(=O)c1ccc2c(c1)c(=O)n(Cc1ccccc1)c(=O)n2C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.60
SLC22A8 Q8TCC7 1/20 0.60
TP53 P04637 1/20 0.58
PARG Q86W56 2/20 0.56
MAPK8 P45983 2/20 0.53
HDAC1 Q13547 2/20 0.53
HPD P32754 2/20 0.51
OPRK1 P41145 1/20 0.51
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
CFTR P13569 1/20 0.49
TSHR P16473 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
PKM P14618 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48

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
SCHEMBL7623093 0.92 MMP13 (0.55) MMP13SLC22A8TP53PARGMAPK8
SCHEMBL27588029 0.90 PARG (0.52) MMP13SLC22A8TP53PARGHDAC1
SCHEMBL7105028 0.90 MMP13 (0.59) MMP13SLC22A8TP53PARGMAPK8
SCHEMBL6532934 0.89 PPARG (0.56) MMP13SLC22A8TP53PARGHDAC1
SCHEMBL7097504 0.89 PARG (0.57) MMP13SLC22A8TP53PARGHDAC1
SCHEMBL7103213 0.89 PARG (0.52) MMP13SLC22A8TP53PARGMAPK8
SCHEMBL27588034 0.89 PARG (0.52) MMP13SLC22A8TP53PARGHDAC1
SCHEMBL6244271 0.89 MMP13 (0.58) MMP13SLC22A8TP53PARGHDAC1
SCHEMBL7634243 0.89 TP53 (0.57) MMP13SLC22A8TP53PARGHDAC1
SCHEMBL27588021 0.89 PARG (0.54) MMP13SLC22A8TP53PARGMAPK8

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
EP-1361873-A4 MATRIX METALLOPROTEINASE INHIBITORS WARNER LAMBERT CO (US) 2005-10-26 EP disclosed
US-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors ANDRIANJARA CHARLES (FR) 2005-01-06 US disclosed
EP-1361873-A2 MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-11-19 EP disclosed
US-20030078276-A1 Matrix metalloproteinase inhibitors ANDRIANJARA CHARLES (FR) 2003-04-24 US disclosed
US-20020193377-A1 Quinazolines as MMP-13 inhibitors ANDRIANJARA CHARLES (FR) 2002-12-19 US disclosed
WO-2002064080-A2 MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LCC (US) 2002-08-22 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 (3 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-20020193377-A1 Quinazolines as MMP-13 inhibitors MMP13, MMP9, MMP3 MMP13 1/4885SLC22A8 315/4885TP53 4351/4885
US-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors MMP13, MMP12, MMP25 MMP13 1/4885SLC22A8 1655/4885TP53 4035/4885
US-20030078276-A1 Matrix metalloproteinase inhibitors MMP13, MMP25, MMP12 MMP13 1/4885SLC22A8 1442/4885TP53 3418/4885

“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.