SCHEMBL5697150

SCHEMBL5697150

COc1cccc(CC(=O)Oc2ccc3ccn(Cc4ccc(C(=O)O)cc4)c(=O)c3c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.53
PTGER2 P43116 1/20 0.53
LMNA P02545 4/20 0.51
MAPT P10636 4/20 0.51
TP53 P04637 3/20 0.51
POLB P06746 1/20 0.49
MMP13 P45452 4/20 0.47
ALDH1A1 P00352 1/20 0.43
HDAC8 Q9BY41 3/20 0.43
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
ROCK2 O75116 1/20 0.43

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
SCHEMBL5697234 0.92 HDAC8 (0.48) PTGER4PTGER2LMNAMAPTTP53
SCHEMBL5697224 0.88 NR4A2 (0.45) PTGER4PTGER2LMNATP53POLB
SCHEMBL5697068 0.84 NTSR1 (0.52) PTGER4PTGER2LMNAMAPTTP53
SCHEMBL5697002 0.84 MMP13 (0.62) LMNATP53POLBMMP13HDAC8
SCHEMBL5697056 0.84 KMT2A (0.43) LMNAMAPTTP53MMP13ALDH1A1
SCHEMBL5922902 0.79 MMP13 (0.55) MAPTTP53MMP13HDAC8HDAC1
SCHEMBL5697139 0.76 HDAC6 (0.53) LMNAMAPTMMP13ALDH1A1HDAC8
SCHEMBL2611251 0.76 HDAC8 (0.58) PTGER4PTGER2LMNAMAPTTP53
SCHEMBL8340351 0.76 EGLN1 (0.46) PTGER4PTGER2LMNAPOLBMMP13
SCHEMBL5696910 0.75 MMP13 (0.69) MMP13HDAC8HDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060247231-A1 Amide and ester matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY LLC 2006-11-02 US disclosed
EP-1680125-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A LIGAND TO AN ALPHA-2-DELTA RECEPTOR Warner-Lambert Company LLC (US) 2006-07-19 EP disclosed
WO-2005002585-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A LIGAND TO AN ALPHA-2-DELTA RECEPTOR WARNER-LAMBERT COMPANY LLC (US) 2005-01-13 WO disclosed
US-20050004177-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 and a ligand to an alpha-2-delta receptor WARNER-LAMBERT COMPANY LLC 2005-01-06 US disclosed
US-20040142950-A1 Amide and ester matrix metalloproteinase inhibitors BUNKER AMY MAE (US) 2004-07-22 US 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-20060247231-A1 Amide and ester matrix metalloproteinase inhibitors MMP13, MMP9, MMP3 PTGER4 714/4885PTGER2 546/4885LMNA 2778/4885
US-20050004177-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 and a ligand to an alpha-2-delta receptor MMP13, MMP10, MMP11 PTGER4 1026/4885PTGER2 157/4885LMNA 2011/4885
US-20040142950-A1 Amide and ester matrix metalloproteinase inhibitors MMP13, MMP11, MMP9 PTGER4 482/4885PTGER2 242/4885LMNA 2819/4885

“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.