SCHEMBL5697144

SCHEMBL5697144

COc1ccc(CC(=O)Nc2ccc3c(c2)CN(C(=O)c2ccc(C(=O)O)cc2)C=C3)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
MAPT P10636 5/20 0.49
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
KDM4C Q9H3R0 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
RAB9A P51151 1/20 0.47
LMNA P02545 2/20 0.46
NLRP3 Q96P20 2/20 0.45
USP2 O75604 2/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL5697075 0.90 KDM6B (0.51) ALDH1A1MAPTKMT2AMEN1KDM4C
SCHEMBL5697245 0.89 MAPT (0.45) ALDH1A1MAPTKMT2AMEN1KDM4C
SCHEMBL5697273 0.88 GAA (0.46) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL6273203 0.87 SMN1; SMN2 (0.50) ALDH1A1MAPTKMT2AMEN1KDM4C
SCHEMBL5922862 0.81 NPC1 (0.53) MAPTKMT2AMEN1RAB9A
SCHEMBL9995867 0.77 ALDH1A1 (0.79) ALDH1A1MAPTKMT2AMEN1KDM4C
SCHEMBL3502569 0.71 ALDH1A1 (0.80) ALDH1A1MAPTKMT2AMEN1KDM4C
SCHEMBL30034264 0.69 SMN1; SMN2 (0.88) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL6176385 0.69 MMP13 (0.46) LMNA
SCHEMBL6181335 0.68 NR1H4 (0.47) MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1587516-A1 AMIDE AND ESTER MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2005-10-26 EP claimed
WO-2004064842-A1 AMIDE AND ESTER MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-08-05 WO claimed
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 ALDH1A1 153/4885MAPT 3752/4885KMT2A 780/4885
US-20050004177-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 and a ligand to an alpha-2-delta receptor MMP13, MMP10, MMP11 ALDH1A1 3321/4885MAPT 2528/4885KMT2A 2900/4885
US-20040142950-A1 Amide and ester matrix metalloproteinase inhibitors MMP13, MMP11, MMP9 ALDH1A1 148/4885MAPT 4085/4885KMT2A 930/4885

“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.