SCHEMBL6730615

SCHEMBL6730615

CN(c1ccc(Cn2c(=O)c3cc(C(=O)OCc4ccccc4)sc3n(C)c2=O)cc1)S(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
USP1 O94782 1/20 0.40
PARG Q86W56 1/20 0.37
TRPA1 O75762 4/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 2/20 0.36
SLC22A8 Q8TCC7 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
ESR1 P03372 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
GAA P10253 1/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL6916535 0.90 ALDH1A1 (0.47) MMP13MEN1KMT2ATRPA1MAPT
SCHEMBL6252686 0.88 MMP13 (0.53) MMP13MEN1KMT2ATRPA1MAPT
SCHEMBL6236545 0.88 MMP13 (0.44) MMP13MEN1KMT2ATRPA1MAPT
SCHEMBL6260002 0.88 MAPK8 (0.46) MMP13MEN1KMT2APARGTRPA1
SCHEMBL6914087 0.87 MMP13 (0.44) MMP13MEN1KMT2APARGTRPA1
SCHEMBL6533924 0.86 MMP13 (0.49) MMP13MEN1KMT2ATRPA1MAPT
SCHEMBL6730796 0.86 MMP13 (0.49) MMP13MEN1KMT2ATRPA1MAPT
SCHEMBL6476942 0.86 MMP13 (0.48) MMP13MEN1KMT2ATRPA1MAPT
SCHEMBL6470802 0.86 TRPA1 (0.48) MMP13MEN1KMT2ATRPA1MAPT
SCHEMBL6730265 0.86 MMP13 (0.48) MMP13MEN1KMT2ATRPA1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 US claimed
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib ROARK WILLIAM HOWARD (US) 2004-01-29 US disclosed
US-20040019054-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with a selective inhibitor of cyclooxygenase-2 that is not celecoxib or valdecoxib ROARK WILLIAM HOWARD (US) 2004-01-29 US disclosed
US-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 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-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors MMP13, MMP3, MMP25 MMP13 1/4885MEN1 3056/4885KMT2A 1976/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 MMP13 1/4885MEN1 4353/4885KMT2A 1264/4885
US-20040019054-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with a selective inhibitor of cyclooxygenase-2 that is not celecoxib or valdecoxib MMP13, MMP11, MMP10 MMP13 1/4885MEN1 4110/4885KMT2A 1331/4885

“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.