SCHEMBL7033919

SCHEMBL7033919

CS(=O)(=O)c1ccc(Cc2ccc3sc(C#CCc4cccc(Cl)c4)cn3c2=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.38
RORC P51449 2/20 0.34
FLT3 P36888 1/20 0.33
PTGS2 P35354 3/20 0.32
PTGS1 P23219 2/20 0.32
MAPK8 P45983 2/20 0.31
CCR2 P41597 1/20 0.31
AKR1C3 P42330 1/20 0.31
CMA1 P23946 1/20 0.31
PGR P06401 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30
ADORA1 P30542 1/20 0.30
MMP13 P45452 1/20 0.30
CNR2 P34972 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 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
SCHEMBL6231683 0.84 PTGS2 (0.37) FLT3PTGS2PTGS1
SCHEMBL7033923 0.76 PPARG (0.37) PPARGRORCPTGS2PTGS1MAPK8
SCHEMBL6735953 0.70 PARG (0.41) PPARGMAPK8MMP13POLB
SCHEMBL6237435 0.68 TBXAS1 (0.36) MMP13
SCHEMBL6235579 0.67 MMP13 (0.34) MMP13
SCHEMBL6250624 0.67 MMP13 (0.38) MMP13
SCHEMBL6297943 0.64 MMP13 (0.75) MMP13
SCHEMBL6302834 0.63 MMP13 (0.55) MMP13
SCHEMBL6526069 0.61 PARG (0.40) ADORA3MMP13
SCHEMBL5957714 0.61 TRPA1 (0.48) PTGS2

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-20040023969-A1 Combination of an allosteric alkyne inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib ROARK WILLIAM HOWARD (US) 2004-02-05 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-20040023969-A1 Combination of an allosteric alkyne inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 PPARG 1717/4885RORC 1030/4885FLT3 3328/4885

“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.