SCHEMBL6735642

SCHEMBL6735642

O=C(OCc1ccc2c(c1)CCO2)c1cc2c(=O)n(Cc3ccccc3)c(=O)[nH]c2s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.42
CASP7 P55210 1/20 0.42
MMP13 P45452 1/20 0.41
FAAH O00519 1/20 0.38
CHRM5 P08912 4/20 0.38
CHRM1 P11229 4/20 0.38
CHRM4 P08173 2/20 0.38
CHRM3 P20309 2/20 0.38
CHRM2 P08172 1/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
KMT2A Q03164 1/20 0.36
P2RX3 P56373 3/20 0.36
TNNI3 P19429 1/20 0.35

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
SCHEMBL6244264 0.87 KMT2A (0.49) MMP13CHRM5CHRM1ALDH1A1LMNA
SCHEMBL6730818 0.85 CASP3 (0.41) CASP3CASP7MMP13FAAHCHRM5
SCHEMBL6258644 0.84 MMP13 (0.54) MMP13ALDH1A1LMNAL3MBTL1MEN1
SCHEMBL6260515 0.79 MMP13 (0.46) MMP13ALDH1A1LMNAL3MBTL1MEN1
SCHEMBL6473178 0.79 KDM4E (0.49) CASP7MMP13ALDH1A1LMNAL3MBTL1
SCHEMBL6259959 0.79 MMP13 (0.49) MMP13ALDH1A1LMNAPOLBL3MBTL1
SCHEMBL6724881 0.79 MMP13 (0.43) CASP7MMP13ALDH1A1LMNAPOLB
SCHEMBL6258383 0.78 MMP13 (0.46) CASP7MMP13ALDH1A1LMNAL3MBTL1
SCHEMBL7032331 0.78 MMP13 (0.43) CASP7MMP13ALDH1A1LMNAL3MBTL1
SCHEMBL6733658 0.78 TRPA1 (0.47) CASP7MMP13FAAHALDH1A1LMNA

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 704/4885MMP13 1/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 CASP3 1902/4885CASP7 3213/4885MMP13 1/4885
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 3456/4885MMP13 1/4885

“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.