SCHEMBL6727653

SCHEMBL6727653

Cn1c(=O)n(Cc2ccccc2)c(=O)c2cc(C(=O)OCc3ccc[nH]3)sc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.42
ADORA3 P0DMS8 1/20 0.40
ADORA2B P29275 1/20 0.40
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
TRPA1 O75762 2/20 0.39
TSHR P16473 3/20 0.39
HSD17B10 Q99714 7/20 0.39
MAPT P10636 7/20 0.39
KDM4E B2RXH2 6/20 0.39
ALDH1A1 P00352 6/20 0.39
HPGD P15428 6/20 0.39
LMNA P02545 3/20 0.39
ESR1 P03372 1/20 0.39
ALOX15 P16050 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
PSMD14 O00487 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL6252686 0.88 MMP13 (0.53) MMP13ADORA3ADORA2BMEN1KMT2A
SCHEMBL6732576 0.85 KDM4E (0.41) MMP13ADORA3ADORA2BMEN1KMT2A
SCHEMBL6475096 0.85 ADORA2B (0.42) MMP13ADORA3ADORA2BMEN1KMT2A
SCHEMBL6728970 0.85 MMP13 (0.40) MMP13ADORA3ADORA2BMEN1KMT2A
SCHEMBL6736359 0.85 MMP13 (0.40) MMP13MEN1KMT2ATRPA1TSHR
SCHEMBL6533924 0.85 MMP13 (0.49) MMP13MEN1KMT2APKMTRPA1
SCHEMBL6730796 0.85 MMP13 (0.49) MMP13MEN1KMT2ATRPA1TSHR
SCHEMBL6529705 0.84 TSHR (0.53) MEN1KMT2APKMTRPA1TSHR
SCHEMBL6476942 0.84 MMP13 (0.48) MMP13MEN1KMT2ATRPA1MAPT
SCHEMBL6470802 0.84 TRPA1 (0.48) MMP13MEN1KMT2ATRPA1TSHR

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 1/4885ADORA3 1081/4885ADORA2B 1759/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 MMP13 1/4885ADORA3 2122/4885ADORA2B 2019/4885
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 1/4885ADORA3 1784/4885ADORA2B 1282/4885

“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.