Sugi Predict

Sugi Predict / Compounds / SCHEMBL6730818

SCHEMBL6730818

SCHEMBL6730818

Cn1c(=O)n(Cc2ccccc2)c(=O)c2cc(C(=O)OCc3ccc4c(c3)CCO4)sc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ CHRM5 P08912 6/20 0.40
▸ CHRM1 P11229 6/20 0.40
▸ CHRM4 P08173 3/20 0.40
▸ CHRM3 P20309 3/20 0.40
▸ CHRM2 P08172 2/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ FAAH O00519 1/20 0.37
▸ P2RX3 P56373 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ ESR1 P03372 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 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
SCHEMBL6470989 0.87 KMT2A (0.49) CHRM5CHRM1ALDH1A1GAAMAPK1
SCHEMBL6735642 0.85 CASP3 (0.42) CASP3CASP7CHRM5CHRM1CHRM4
SCHEMBL6252686 0.85 MMP13 (0.53) MMP13ALDH1A1KDM4ELMNAESR1
SCHEMBL6472521 0.84 MMP13 (0.45) MMP13ALDH1A1GAALMNAMAPT
SCHEMBL6252864 0.84 LMNA (0.50) ALDH1A1GAAMAPK1LMNAMAPT
SCHEMBL6533924 0.83 MMP13 (0.49) MMP13ALDH1A1GAAKDM4ELMNA
SCHEMBL6730796 0.83 MMP13 (0.49) MMP13ALDH1A1KDM4ELMNAESR1
SCHEMBL6476942 0.82 MMP13 (0.48) MMP13LMNAMAPTMEN1KMT2A
SCHEMBL6470802 0.82 TRPA1 (0.48) MMP13ALDH1A1KDM4ELMNAESR1
SCHEMBL6730265 0.82 MMP13 (0.48) MMP13LMNAMAPTMEN1KMT2A

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 CASP3 438/4885CASP7 704/4885CHRM5 2369/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 CASP3 1902/4885CASP7 3213/4885CHRM5 3241/4885
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 CASP3 2198/4885CASP7 3456/4885CHRM5 3992/4885

“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.