SCHEMBL6734552

SCHEMBL6734552

Cc1ccc(CC#Cc2cc3c(=O)n(Cc4ccccc4)c(=O)n(C)c3s2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.51
SLC22A8 Q8TCC7 1/20 0.51
ALDH1A1 P00352 3/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
RGS4 P49798 1/20 0.42
RGS8 P57771 1/20 0.42
TRPA1 O75762 1/20 0.42
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
PDE1B Q01064 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL6727824 0.92 MMP13 (0.51) MMP13SLC22A8ALDH1A1NPSR1TRPA1
SCHEMBL6731016 0.91 ALDH1A1 (0.46) MMP13SLC22A8ALDH1A1HPGDNPSR1
SCHEMBL6917313 0.91 MMP13 (0.50) MMP13SLC22A8ALDH1A1NPSR1SMN1; SMN2
SCHEMBL6736580 0.91 MMP13 (0.50) MMP13SLC22A8ALDH1A1HPGDNPSR1
SCHEMBL6916594 0.90 MMP13 (0.57) MMP13SLC22A8ALDH1A1POLBHPGD
SCHEMBL6730295 0.89 MAPT (0.44) MMP13SLC22A8ALDH1A1HPGDLMNA
SCHEMBL6472222 0.89 MMP13 (0.48) MMP13SLC22A8ALDH1A1POLBSMN1; SMN2
SCHEMBL6472147 0.89 MMP13 (0.48) MMP13SLC22A8POLBHPGDMAPT
SCHEMBL6265426 0.89 MMP13 (0.48) MMP13SLC22A8ALDH1A1POLBTRPA1
SCHEMBL6913822 0.88 PTGDR2 (0.41) MMP13SLC22A8ALDH1A1SMN1; SMN2TDP1

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 1/4885SLC22A8 605/4885ALDH1A1 812/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 MMP13 1/4885SLC22A8 159/4885ALDH1A1 1764/4885
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 1/4885SLC22A8 123/4885ALDH1A1 878/4885

“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.