SCHEMBL6907524

SCHEMBL6907524

CC(c1ccc[nH]1)n1c(=O)[nH]c2sc(C(=O)OCc3ccccc3)cc2c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.38
MMP2 P08253 2/20 0.34
MMP9 P14780 2/20 0.34
MMP12 P39900 2/20 0.34
MMP1 P03956 1/20 0.34
ELANE P08246 4/20 0.34
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ADORA2B P29275 1/20 0.33
AKR1B1 P15121 1/20 0.33
MAPT P10636 3/20 0.33
RAB9A P51151 3/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 3/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL6471090 0.86 MMP13 (0.36) MMP13MMP2MMP9MMP12MMP1
SCHEMBL6472223 0.81 AAK1 (0.41) MMP13KMT2A
SCHEMBL6255363 0.79 MMP13 (0.44) MMP13MMP2MMP9MMP12MMP1
SCHEMBL6465609 0.79 NMT1 (0.43) MMP13ELANEADORA2B
SCHEMBL6258644 0.77 MMP13 (0.54) MMP13MMP2MMP9MMP12MMP1
SCHEMBL7145713 0.76 MMP13 (0.43) MMP13MMP2MMP9MMP12MMP1
SCHEMBL6472242 0.75 ADORA2B (0.42) MMP13MMP2MMP9MMP12MMP1
SCHEMBL6473178 0.73 KDM4E (0.49) MMP13MMP9MMP1TSHRHSD17B10
SCHEMBL6252407 0.72 MMP13 (0.45) MMP13MMP2MMP9MMP12MMP1
SCHEMBL6736337 0.72 GCGR (0.41) MMP13MMP2MMP9MMP12MMP1

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
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
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 (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 1/4885MMP2 16/4885MMP9 6/4885
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 1/4885MMP2 19/4885MMP9 5/4885

“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.