SCHEMBL5697002

SCHEMBL5697002

COc1cccc(CC(=O)Oc2ccc3ncn(Cc4ccc(C(=O)O)cc4)c(=O)c3c2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 16/20 0.62
SLC22A8 Q8TCC7 1/20 0.55
AURKA O14965 1/20 0.52
PRKCB P05771 1/20 0.52
GRK2 P25098 1/20 0.52
AKT1 P31749 1/20 0.52
GRK5 P34947 1/20 0.52
GRK6 P43250 1/20 0.52
ROCK1 Q13464 1/20 0.52
CAMK2B Q13554 1/20 0.52
RPS6KA1 Q15418 1/20 0.52
GRK7 Q8WTQ7 1/20 0.52
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47

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
SCHEMBL5696910 0.92 MMP13 (0.69) MMP13SLC22A8HDAC3HDAC4HDAC1
SCHEMBL5696979 0.89 MMP13 (0.59) MMP13SLC22A8
SCHEMBL5697112 0.86 MMP13 (0.69) MMP13SLC22A8AURKAPRKCBGRK2
SCHEMBL5696824 0.84 MMP13 (0.63) MMP13SLC22A8
SCHEMBL5697102 0.84 MMP13 (0.57) MMP13SLC22A8
SCHEMBL5697150 0.84 PTGER4 (0.53) MMP13ROCK1HDAC3HDAC4HDAC1
SCHEMBL5697023 0.82 MMP13 (0.85) MMP13SLC22A8POLBLMNATP53
SCHEMBL6302759 0.82 MMP13 (0.84) MMP13SLC22A8
SCHEMBL5697017 0.79 MMP13 (0.70) MMP13SLC22A8AURKAPRKCBGRK2
SCHEMBL2494650 0.79 MMP13 (0.68) MMP13SLC22A8AURKAPRKCBGRK2

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 MMP13 1/4885SLC22A8 1010/4885AURKA 1778/4885
US-20050004177-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 and a ligand to an alpha-2-delta receptor MMP13, MMP10, MMP11 MMP13 1/4885SLC22A8 1909/4885AURKA 4174/4885
US-20040142950-A1 Amide and ester matrix metalloproteinase inhibitors MMP13, MMP11, MMP9 MMP13 1/4885SLC22A8 1108/4885AURKA 2765/4885

“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.