SCHEMBL6409094

SCHEMBL6409094

O=C(CC(CCn1nnc2ccccc2c1=O)C(=O)O)c1ccc(-c2ccccc2)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.49
MMP3 P08254 5/20 0.49
MMP9 P14780 5/20 0.49
MMP13 P45452 5/20 0.49
MMP1 P03956 4/20 0.49
KMT2A Q03164 4/20 0.47
MEN1 O00255 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 4/20 0.44
TP53 P04637 1/20 0.43
EIF4EBP1 Q13541 1/20 0.43
LMNA P02545 2/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL6300844 0.85 MMP2 (0.61) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7893160 0.84 MMP2 (0.61) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7894228 0.84 MMP2 (0.61) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7893154 0.81 MMP2 (0.55) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7554346 0.81 MMP2 (0.57) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7886287 0.79 MMP2 (0.53) MMP2MMP3MMP9MMP13MMP1
SCHEMBL17150494 0.79 MMP2 (0.51) MMP2MMP3MMP9MMP13MMP1
SCHEMBL6292126 0.79 MMP2 (0.64) MMP2MMP3MMP9MMP13MMP1
SCHEMBL18807161 0.78 KMT2A (0.57) MMP2MMP3MMP9MMP13MMP1
SCHEMBL7551832 0.77 MMP2 (0.62) MMP2MMP3MMP9MMP13MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050267102-A1 Inhibition of matrix metalloproteases by substituted biaryl oxobutyric acids BAYER PHARMACEUTICALS CORPORATION (US) 2005-12-01 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 (1 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-20050267102-A1 Inhibition of matrix metalloproteases by substituted biaryl oxobutyric acids MMP20, ADAMTS5, MMP10 MMP2 21/4885MMP3 32/4885MMP9 19/4885

“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.