SCHEMBL6289360

SCHEMBL6289360

CN1C(=O)N(Cc2ccc(C(=O)O)cc2)Cc2oc(C#CCc3ccccc3)cc21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 5/20 0.46
SLC22A8 Q8TCC7 1/20 0.46
HDAC6 Q9UBN7 5/20 0.38
FABP4 P15090 1/20 0.35
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
SLC6A3 Q01959 1/20 0.33
POLB P06746 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL6694967 0.85 MMP13 (0.46) MMP13SLC22A8HDAC6FABP4KMT2A
SCHEMBL6289326 0.80 MMP13 (0.43) MMP13SLC22A8HDAC6HDAC1HDAC8
SCHEMBL6706890 0.80 MMP13 (0.55) MMP13SLC22A8HDAC6KMT2AMEN1
SCHEMBL6292726 0.79 MMP13 (0.46) MMP13SLC22A8HDAC6FABP4KMT2A
SCHEMBL6288755 0.79 TP53 (0.45) MMP13HDAC6ALDH1A1HPGDPOLB
SCHEMBL6703290 0.76 MMP13 (0.43) MMP13SLC22A8HDAC6HDAC1HDAC8
SCHEMBL6920079 0.74 MMP13 (0.38) MMP13SLC22A8HDAC6ALDH1A1
SCHEMBL6699545 0.73 MMP13 (0.39) MMP13SLC22A8ALDH1A1POLB
SCHEMBL6701922 0.73 SCD (0.36) MMP13SLC22A8HDAC1POLB
SCHEMBL6694914 0.72 MMP13 (0.39) MMP13SLC22A8HDAC6KMT2AMEN1

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-6949651-B2 Fused bicyclic metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-09-27 US disclosed
US-20040038994-A1 Pyrimidine fused bicyclic metalloproteinase inhibitors WILSON MICHAEL WILLIAM (US) 2004-02-26 US disclosed
US-20040034054-A1 Fused bicyclic metalloproteinase inhibitors LINCOLN FOODSERVICE PRODUCTS INC. 2004-02-19 US disclosed
WO-2004014916-A1 PYRIMIDINE FUSED BICYCLIC METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO 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 (2 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-20040034054-A1 Fused bicyclic metalloproteinase inhibitors MMP9, MMP1, MMP2 MMP13 9/4885SLC22A8 2735/4885HDAC6 206/4885
US-20040038994-A1 Pyrimidine fused bicyclic metalloproteinase inhibitors MMP9, MMP1, MMP2 MMP13 13/4885SLC22A8 2959/4885HDAC6 493/4885

“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.