SCHEMBL6747349

SCHEMBL6747349

CCn1c(=O)n(Cc2ccc(C(=O)O)cc2)c(=O)c2cc(C#CCc3ccccc3)ncc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 5/20 0.62
SLC22A8 Q8TCC7 1/20 0.62
HDAC1 Q13547 5/20 0.45
HDAC6 Q9UBN7 3/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MAPK8 P45983 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC2 Q92769 1/20 0.40
TSHR P16473 1/20 0.40
P2RX3 P56373 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 1/20 0.40
AGTR1 P30556 1/20 0.39
AGTR2 P50052 1/20 0.39

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
SCHEMBL6255601 0.89 MMP13 (0.74) MMP13SLC22A8HDAC1HDAC6HDAC11
SCHEMBL6217699 0.80 MMP13 (0.61) MMP13SLC22A8HDAC1HDAC6HDAC11
SCHEMBL6243124 0.79 MMP13 (0.55) MMP13SLC22A8HDAC1HDAC6HDAC11
SCHEMBL6244295 0.77 MMP13 (1.00) MMP13SLC22A8HDAC1HDAC6HDAC11
SCHEMBL6302727 0.75 MMP13 (0.75) MMP13
SCHEMBL6397427 0.72 MMP13 (0.91) MMP13SLC22A8HDAC1KMT2AMEN1
SCHEMBL6390382 0.71 MMP13 (0.57) MMP13SLC22A8HDAC1HDAC6HDAC11
SCHEMBL6390967 0.70 MMP13 (0.87) MMP13SLC22A8HDAC1HDAC6HDAC11
SCHEMBL6302712 0.70 MMP13 (0.64) MMP13SLC22A8
SCHEMBL6247434 0.70 MMP13 (0.68) MMP13SLC22A8HDAC1HDAC6HDAC8

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-20040034086-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib ROARK WILLIAM HOWARD (US) 2004-02-19 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-20040034086-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP11, MMP13, MMP10 MMP13 2/4885SLC22A8 255/4885HDAC1 435/4885

“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.