SCHEMBL6474341

SCHEMBL6474341

Cn1c(=O)n(CS(=O)(=O)c2ccccc2)c(=O)c2cc(C(=O)OCc3ccccc3)sc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.41
HSD17B10 Q99714 4/20 0.41
TSHR P16473 3/20 0.41
KDM4E B2RXH2 5/20 0.40
MAPT P10636 5/20 0.40
ALDH1A1 P00352 5/20 0.40
HPGD P15428 4/20 0.40
LMNA P02545 2/20 0.40
ESR1 P03372 1/20 0.40
ALOX15 P16050 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 1/20 0.36
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PSMD14 O00487 1/20 0.35
GFER P55789 1/20 0.35
TNF P01375 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
SCHEMBL6253141 0.90 MMP13 (0.45) MMP13HSD17B10TSHRKDM4EMAPT
SCHEMBL6257988 0.88 MMP13 (0.45) MMP13HSD17B10TSHRKDM4EMAPT
SCHEMBL6237878 0.87 MMP13 (0.40) MMP13HSD17B10TSHRKDM4EMAPT
SCHEMBL6236463 0.86 MMP13 (0.40) MMP13HSD17B10TSHRKDM4EMAPT
SCHEMBL6730298 0.86 MMP13 (0.44) MMP13HSD17B10TSHRKDM4EMAPT
SCHEMBL6252686 0.86 MMP13 (0.53) MMP13HSD17B10TSHRKDM4EMAPT
SCHEMBL6255169 0.86 KMT2A (0.46) MMP13HSD17B10TSHRKDM4EMAPT
SCHEMBL6733514 0.86 MMP13 (0.45) MMP13HSD17B10TSHRKDM4EMAPT
SCHEMBL6258180 0.86 MAPT (0.46) MMP13HSD17B10TSHRKDM4EMAPT
SCHEMBL6730089 0.85 MMP13 (0.42) MMP13HSD17B10TSHRKDM4EMAPT

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 5 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-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-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-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
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 (2 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 1/4885HSD17B10 504/4885TSHR 3353/4885
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 1/4885HSD17B10 193/4885TSHR 4247/4885

“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.