SCHEMBL6724945

SCHEMBL6724945

O=C(OCc1ccccc1)c1cc2c(=O)n(Cc3ncco3)c(=O)[nH]c2s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.41
P2RY1 P47900 1/20 0.35
RAB9A P51151 2/20 0.35
JMJD6 Q6NYC1 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
ALDH1A1 P00352 6/20 0.35
KDM4E B2RXH2 5/20 0.35
HPGD P15428 4/20 0.35
GAA P10253 3/20 0.35
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
GLA P06280 1/20 0.35
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP12 P39900 1/20 0.34
FAAH O00519 1/20 0.34
TSHR P16473 2/20 0.34
CASP3 P42574 1/20 0.34

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
SCHEMBL6472046 0.93 MMP13 (0.41) MMP13ALDH1A1KDM4EHPGDGAA
SCHEMBL6252407 0.86 MMP13 (0.45) MMP13P2RY1RAB9AJMJD6ALDH1A1
SCHEMBL6258644 0.85 MMP13 (0.54) MMP13ALDH1A1KDM4EHPGDGAA
SCHEMBL6259959 0.84 MMP13 (0.49) MMP13ALDH1A1KDM4EHPGDNPSR1
SCHEMBL6471062 0.83 MMP13 (0.42) MMP13RAB9ATP53ALDH1A1KDM4E
SCHEMBL6728059 0.83 MMP13 (0.42) MMP13ALDH1A1KDM4EHPGDGAA
SCHEMBL6472242 0.83 ADORA2B (0.42) MMP13P2RY1RAB9AJMJD6ALDH1A1
SCHEMBL6733106 0.81 ALDH1A1 (0.48) MMP13RAB9ATP53ALDH1A1KDM4E
SCHEMBL6471087 0.81 ADORA2B (0.44) MMP13P2RY1RAB9AJMJD6NPC1
SCHEMBL6260515 0.80 MMP13 (0.46) MMP13ALDH1A1KDM4EHPGDMAPT

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 1/4885P2RY1 3201/4885RAB9A 2581/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 MMP13 1/4885P2RY1 3436/4885RAB9A 1604/4885
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 1/4885P2RY1 2404/4885RAB9A 2386/4885

“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.