SCHEMBL6532305

SCHEMBL6532305

COc1cc(CC#Cc2cc3c(=O)n(Cc4ccccc4)c(=O)n(C)c3s2)ccn1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.49
MMP13 P45452 1/20 0.41
SLC22A8 Q8TCC7 1/20 0.41
ADORA3 P0DMS8 2/20 0.39
ADORA2B P29275 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
UBE2N P61088 1/20 0.38
HIF1A Q16665 1/20 0.37

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
SCHEMBL6472204 0.91 MAPT (0.45) TRPA1
SCHEMBL7035431 0.91 MMP13 (0.48) TRPA1MMP13SLC22A8UBE2N
SCHEMBL6258139 0.89 TRPA1 (0.39) TRPA1MMP13SLC22A8UBE2N
SCHEMBL6265426 0.86 MMP13 (0.48) TRPA1MMP13SLC22A8ADORA3ADORA2B
SCHEMBL6724551 0.85 ALDH1A1 (0.48) MMP13SLC22A8ADORA3SMN1; SMN2HIF1A
SCHEMBL6472222 0.84 MMP13 (0.48) MMP13SLC22A8ADORA3SMN1; SMN2
SCHEMBL6731016 0.84 ALDH1A1 (0.46) MMP13SLC22A8
SCHEMBL6734552 0.83 MMP13 (0.51) TRPA1MMP13SLC22A8SMN1; SMN2
SCHEMBL6734140 0.82 HIF1A (0.51) TRPA1MMP13SLC22A8HIF1A
SCHEMBL6724637 0.82 MAPT (0.49) MMP13SLC22A8

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 5 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
EP-1530475-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 Warner-Lambert Company LLC (US) 2005-05-18 EP 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
WO-2004006931-A2 PHARMACEUTICAL COMPOSTIONS COMPRISING AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 WARNER-LAMBERT COMPANY LLC (US) 2004-01-22 WO 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 (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-20030004172-A1 Fused pyrimidinone matrix metalloproteinase inhibitors MMP13, MMP3, MMP25 TRPA1 3888/4885MMP13 1/4885SLC22A8 605/4885
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 TRPA1 671/4885MMP13 1/4885SLC22A8 123/4885

“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.