SCHEMBL5697224

SCHEMBL5697224

O=C(Cc1cccc(F)c1)Oc1ccc2ccn(Cc3ccc(C(=O)O)cc3)c(=O)c2c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.45
MMP13 P45452 2/20 0.44
PTGER4 P35408 4/20 0.39
PTGER2 P43116 1/20 0.39
MAPK14 Q16539 2/20 0.39
RHEB Q15382 1/20 0.38
LMNA P02545 3/20 0.38
TP53 P04637 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALOX5 P09917 1/20 0.38
EPHX2 P34913 2/20 0.37
PPARG P37231 2/20 0.37
POLB P06746 2/20 0.37
PTGDR Q13258 1/20 0.37
GAA P10253 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL5697056 0.91 KMT2A (0.43) NR4A2MMP13RHEBLMNATP53
SCHEMBL5697150 0.88 PTGER4 (0.53) MMP13PTGER4PTGER2LMNATP53
SCHEMBL5697234 0.85 HDAC8 (0.48) MMP13PTGER4PTGER2LMNATP53
SCHEMBL5696979 0.84 MMP13 (0.59) MMP13
SCHEMBL5697045 0.81 MMP13 (0.46) MMP13PTGER4KDM4EALDH1A1L3MBTL1
SCHEMBL5922828 0.78 MMP13 (0.55) NR4A2MMP13TP53POLB
SCHEMBL8340351 0.77 EGLN1 (0.46) MMP13PTGER4PTGER2RHEBLMNA
SCHEMBL5697102 0.74 MMP13 (0.57) MMP13
SCHEMBL2611281 0.73 EPHX2 (0.48) MAPK14KDM4EALDH1A1L3MBTL1EPHX2
SCHEMBL5697068 0.72 NTSR1 (0.52) MMP13PTGER4PTGER2LMNATP53

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
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
EP-1587516-A1 AMIDE AND ESTER MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2005-10-26 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
WO-2004064842-A1 AMIDE AND ESTER MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-08-05 WO 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 NR4A2 3157/4885MMP13 1/4885PTGER4 714/4885
US-20050004177-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 and a ligand to an alpha-2-delta receptor MMP13, MMP10, MMP11 NR4A2 730/4885MMP13 1/4885PTGER4 1026/4885
US-20040142950-A1 Amide and ester matrix metalloproteinase inhibitors MMP13, MMP11, MMP9 NR4A2 3009/4885MMP13 1/4885PTGER4 482/4885

“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.