SCHEMBL6237218

SCHEMBL6237218

CCOC(=O)c1ccoc1Cn1c(=O)c2cc(C(=O)OCc3ccccc3)sc2n(C)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.42
HSD17B10 Q99714 5/20 0.42
POLB P06746 2/20 0.41
KDM4E B2RXH2 8/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
ALDH1A1 P00352 6/20 0.39
HPGD P15428 5/20 0.39
MAPT P10636 4/20 0.39
GPR55 Q9Y2T6 2/20 0.39
LMNA P02545 2/20 0.39
ESR1 P03372 1/20 0.39
ALOX15 P16050 1/20 0.39
MMP13 P45452 1/20 0.39
MAPK1 P28482 1/20 0.38
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
GAA P10253 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ADORA2B P29275 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
SCHEMBL6529705 0.84 TSHR (0.53) TSHRHSD17B10POLBKDM4EKMT2A
SCHEMBL6252686 0.84 MMP13 (0.53) TSHRHSD17B10POLBKDM4EKMT2A
SCHEMBL6730796 0.82 MMP13 (0.49) TSHRHSD17B10POLBKDM4EKMT2A
SCHEMBL6253141 0.82 MMP13 (0.45) TSHRHSD17B10KDM4EKMT2AMEN1
SCHEMBL6257988 0.82 MMP13 (0.45) TSHRHSD17B10KDM4EKMT2AMEN1
SCHEMBL6237223 0.82 TSHR (0.42) TSHRHSD17B10POLBKDM4EKMT2A
SCHEMBL6470802 0.81 TRPA1 (0.48) TSHRHSD17B10POLBKDM4EKMT2A
SCHEMBL6258337 0.81 MMP13 (0.41) TSHRHSD17B10POLBKDM4EKMT2A
SCHEMBL6472360 0.81 THRB (0.47) TSHRHSD17B10POLBKDM4EKMT2A
SCHEMBL6533924 0.80 MMP13 (0.49) TSHRHSD17B10KDM4EKMT2AMEN1

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 10 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
EP-1530467-A2 COMBINATION OF AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB Warner-Lambert Company LLC (US) 2005-05-18 EP disclosed
EP-1530475-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 Warner-Lambert Company LLC (US) 2005-05-18 EP disclosed
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
WO-2004006912-A2 COMBINATION OF AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB WARNER-LAMBERT COMPANY LLC (US) 2004-01-22 WO disclosed
WO-2004006931-A2 PHARMACEUTICAL COMPOSTIONS COMPRISING AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 WARNER-LAMBERT COMPANY LLC (US) 2004-01-22 WO disclosed
EP-1370562-A1 THIENO[2,3-D]PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-12-17 EP disclosed
US-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 US disclosed
WO-2002064598-A1 THIENO'2,3-D PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO 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 TSHR 3353/4885HSD17B10 504/4885POLB 966/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 TSHR 3857/4885HSD17B10 231/4885POLB 2444/4885
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 TSHR 4247/4885HSD17B10 193/4885POLB 2804/4885

“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.