SCHEMBL6736372

SCHEMBL6736372

COc1ccc(CC#Cc2cc3c(=O)n(C(C)c4ccc(C(=O)O)cc4)c(=O)[nH]c3s2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 4/20 0.43
SLC22A8 Q8TCC7 1/20 0.36
POLB P06746 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FFAR1 O14842 1/20 0.35
PTPN5 P54829 1/20 0.35
UCHL1 P09936 1/20 0.35
PTGER4 P35408 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TAS2R14 Q9NYV8 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
SCHEMBL6730190 0.91 MMP13 (0.40) MMP13SLC22A8PTGER4TAS2R14ALDH1A1
SCHEMBL6916599 0.91 MMP13 (0.38) MMP13SLC22A8SMN1; SMN2UCHL1PTGER4
SCHEMBL6912473 0.91 MMP13 (0.38) MMP13SLC22A8PTGER4
SCHEMBL6733045 0.90 MMP13 (0.37) MMP13SLC22A8KDM4ERXRARXRB
SCHEMBL6736341 0.90 MMP13 (0.39) MMP13SLC22A8PTGER4
SCHEMBL6735961 0.88 MMP13 (0.36) MMP13SLC22A8TAS2R14
SCHEMBL6471589 0.88 MMP13 (0.35) MMP13SLC22A8
SCHEMBL6461031 0.87 MMP13 (0.36) MMP13SLC22A8POLBSMN1; SMN2L3MBTL1
SCHEMBL6467750 0.86 MMP13 (0.36) MMP13SLC22A8FFAR1
SCHEMBL6471042 0.85 MMP13 (0.36) MMP13SLC22A8PTGER4MEN1KMT2A

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 605/4885POLB 966/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 MMP13 1/4885SLC22A8 159/4885POLB 2444/4885
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 123/4885POLB 2804/4885

“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.