SCHEMBL6916599

SCHEMBL6916599

Cc1ccc(CC#Cc2cc3c(=O)n(C(C)c4ccc(C(=O)O)cc4)c(=O)[nH]c3s2)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.38
SLC22A8 Q8TCC7 1/20 0.38
MAPK1 P28482 2/20 0.33
UCHL1 P09936 2/20 0.32
SRD5A2 P31213 1/20 0.32
RXFP1 Q9HBX9 2/20 0.31
B3GNT2 Q9NY97 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
APEX1 P27695 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PTGER4 P35408 2/20 0.30
PTGER2 P43116 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL6912473 0.93 MMP13 (0.38) MMP13SLC22A8MAPK1B3GNT2PTGER4
SCHEMBL6736341 0.92 MMP13 (0.39) MMP13SLC22A8MAPK1B3GNT2PTGER4
SCHEMBL6733045 0.92 MMP13 (0.37) MMP13SLC22A8MAPK1B3GNT2KDM4E
SCHEMBL6735961 0.91 MMP13 (0.36) MMP13SLC22A8MAPK1
SCHEMBL6471042 0.91 MMP13 (0.36) MMP13SLC22A8MAPK1PTGER4PTGER2
SCHEMBL6736372 0.91 MMP13 (0.43) MMP13SLC22A8UCHL1KDM4EMAPT
SCHEMBL6471589 0.90 MMP13 (0.35) MMP13SLC22A8MAPK1B3GNT2
SCHEMBL6461031 0.90 MMP13 (0.36) MMP13SLC22A8SRD5A2KDM4EMAPT
SCHEMBL6471978 0.86 MMP13 (0.36) MMP13SLC22A8MAPK1MAPTPTGER4
SCHEMBL6461412 0.86 MMP13 (0.36) MMP13SLC22A8MAPK1PTGER4PTGER2

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 3 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-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 (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 MMP13 1/4885SLC22A8 605/4885MAPK1 1365/4885
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 123/4885MAPK1 915/4885

“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.