SCHEMBL6724880

SCHEMBL6724880

Cn1c(=O)n(Cc2ccccc2)c(=O)c2cc(C(=O)OCC3COc4ccccc4O3)sc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
MAPK1 P28482 2/20 0.43
PTGIR P43119 1/20 0.40
ALDH1A1 P00352 5/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HTT P42858 2/20 0.39
TSHR P16473 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.38
HTR1A P08908 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
MMP13 P45452 1/20 0.37
POLB P06746 1/20 0.37
RECQL P46063 1/20 0.37
TAOK1 Q7L7X3 1/20 0.37
TAOK3 Q9H2K8 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
SCHEMBL6727774 0.84 ALDH1A1 (0.47) MAPK1ALDH1A1NPSR1TSHRPKM
SCHEMBL6525287 0.83 KMT2A (0.41) ALDH1A1TSHRPKMSMN1; SMN2KDM4E
SCHEMBL6727817 0.83 ALDH1A1 (0.45) MAPK1ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL6473136 0.82 L3MBTL1 (0.48) L3MBTL1MAPK1PTGIRALDH1A1NPSR1
SCHEMBL6730039 0.82 MEN1 (0.40) ALDH1A1NPSR1TSHRPKMSMN1; SMN2
SCHEMBL6724943 0.81 HSD17B10 (0.36) ALDH1A1TSHRPKMSMN1; SMN2KDM4E
SCHEMBL6724777 0.81 TSHR (0.40) MAPK1ALDH1A1NPSR1TSHRSMN1; SMN2
SCHEMBL6529705 0.80 TSHR (0.53) MAPK1ALDH1A1TSHRPKMSMN1; SMN2
SCHEMBL6252686 0.80 MMP13 (0.53) ALDH1A1TSHRPKMSMN1; SMN2KDM4E
SCHEMBL6470989 0.80 KMT2A (0.49) MAPK1ALDH1A1NPSR1HTTTSHR

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1370562-A1 THIENO[2,3-D]PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-12-17 EP claimed
US-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors HARTER WILLIAM GLEN (US) 2003-01-02 US claimed
WO-2002064598-A1 THIENO'2,3-D PYRIMIDINDIONE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO 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 L3MBTL1 3703/4885MAPK1 1365/4885PTGIR 938/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 L3MBTL1 4723/4885MAPK1 1029/4885PTGIR 294/4885
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 L3MBTL1 4656/4885MAPK1 915/4885PTGIR 171/4885

“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.