SCHEMBL6731006

SCHEMBL6731006

Cn1c(=O)n(Cc2ccccc2)c(=O)c2cc(C(=O)OCc3ccccc3O)sc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.43
PKM P14618 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 1/20 0.41
TRPA1 O75762 1/20 0.40
HSD17B10 Q99714 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 3/20 0.40
TSHR P16473 2/20 0.40
HPGD P15428 2/20 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
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
CYP3A4 P08684 1/20 0.39
MITF O75030 1/20 0.39
MAPK1 P28482 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
SCHEMBL6725048 0.91 TYR (0.41) MMP13PKMSMN1; SMN2RAB9ATRPA1
SCHEMBL6730266 0.90 MAPT (0.44) MMP13PKMSMN1; SMN2RAB9ATRPA1
SCHEMBL6252686 0.90 MMP13 (0.53) MMP13PKMSMN1; SMN2RAB9ATRPA1
SCHEMBL6730208 0.89 TSHR (0.45) MMP13PKMSMN1; SMN2RAB9ATRPA1
SCHEMBL6533924 0.88 MMP13 (0.49) MMP13PKMSMN1; SMN2RAB9ATRPA1
SCHEMBL6727572 0.88 MAPT (0.44) MMP13PKMSMN1; SMN2RAB9ATRPA1
SCHEMBL6730594 0.86 MMP13 (0.48) MMP13PKMSMN1; SMN2RAB9ATRPA1
SCHEMBL6730796 0.86 MMP13 (0.49) MMP13SMN1; SMN2TRPA1HSD17B10ALDH1A1
SCHEMBL6529705 0.86 TSHR (0.53) PKMSMN1; SMN2TRPA1HSD17B10ALDH1A1
SCHEMBL6724991 0.86 MMP13 (0.45) MMP13PKMSMN1; SMN2RAB9ATRPA1

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 MMP13 1/4885PKM 4752/4885SMN1; SMN2 2160/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 MMP13 1/4885PKM 1829/4885SMN1; SMN2 1550/4885
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 1/4885PKM 1873/4885SMN1; SMN2 941/4885

“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.