SCHEMBL6730266

SCHEMBL6730266

Cc1ccccc1COC(=O)c1cc2c(=O)n(Cc3ccccc3)c(=O)n(C)c2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
TSHR P16473 2/20 0.44
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
ESR1 P03372 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
MMP13 P45452 1/20 0.43
TP53 P04637 5/20 0.42
TRPA1 O75762 2/20 0.42
KMT2A Q03164 3/20 0.42
POLB P06746 2/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 2/20 0.41
THRB P10828 1/20 0.40

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
SCHEMBL6472360 0.92 THRB (0.47) MAPTTSHRHSD17B10KDM4EALDH1A1
SCHEMBL6731006 0.90 MMP13 (0.43) MAPTTSHRHSD17B10KDM4EALDH1A1
SCHEMBL6252686 0.90 MMP13 (0.53) MAPTTSHRHSD17B10KDM4EALDH1A1
SCHEMBL6730208 0.89 TSHR (0.45) MAPTTSHRKDM4EALDH1A1MMP13
SCHEMBL6529705 0.88 TSHR (0.53) MAPTTSHRHSD17B10KDM4EALDH1A1
SCHEMBL6727572 0.88 MAPT (0.44) MAPTTSHRHSD17B10KDM4EALDH1A1
SCHEMBL6470802 0.87 TRPA1 (0.48) MAPTTSHRHSD17B10KDM4EALDH1A1
SCHEMBL6730796 0.86 MMP13 (0.49) MAPTTSHRHSD17B10KDM4EALDH1A1
SCHEMBL6533924 0.86 MMP13 (0.49) MAPTTSHRHSD17B10KDM4EALDH1A1
SCHEMBL6526803 0.86 MMP13 (0.43) MAPTTSHRHSD17B10KDM4EALDH1A1

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 MAPT 4800/4885TSHR 3353/4885HSD17B10 504/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 MAPT 1345/4885TSHR 3857/4885HSD17B10 231/4885
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 MAPT 1774/4885TSHR 4247/4885HSD17B10 193/4885

“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.