SCHEMBL6735501

SCHEMBL6735501

Cn1c(=O)n(Cc2ccccc2)c(=O)c2cc(C(=O)OCc3ccc(OCc4ccccc4)cc3)sc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.47
SLC22A8 Q8TCC7 1/20 0.41
MAOB P27338 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
MITF O75030 1/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
PAX8 Q06710 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TRPA1 O75762 2/20 0.39
KLK1 P06870 1/20 0.39
GAA P10253 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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 0.93 MMP13 (0.53) MMP13SLC22A8MEN1KMT2AALDH1A1
SCHEMBL6734834 0.93 MMP13 (0.47) MMP13ALDH1A1LMNAMAPTMITF
SCHEMBL6730796 0.91 MMP13 (0.49) MMP13SLC22A8MEN1KMT2AALDH1A1
SCHEMBL6533924 0.91 MMP13 (0.49) MMP13SLC22A8MEN1KMT2AALDH1A1
SCHEMBL6730265 0.90 MMP13 (0.48) MMP13MEN1KMT2ALMNAMAPT
SCHEMBL6258183 0.90 MMP13 (0.48) MMP13SLC22A8MEN1KMT2AALDH1A1
SCHEMBL6724753 0.90 MMP13 (0.48) MMP13SLC22A8MEN1KMT2AALDH1A1
SCHEMBL6476942 0.90 MMP13 (0.48) MMP13MEN1KMT2ALMNAMAPT
SCHEMBL6470802 0.90 TRPA1 (0.48) MMP13MEN1KMT2AALDH1A1LMNA
SCHEMBL6258865 0.90 MMP13 (0.45) MMP13MEN1KMT2AALDH1A1LMNA

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 6 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
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 MMP13 1/4885SLC22A8 605/4885MAOB 858/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 MMP13 1/4885SLC22A8 159/4885MAOB 1655/4885
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 1/4885SLC22A8 123/4885MAOB 1461/4885

“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.