SCHEMBL6746973

SCHEMBL6746973

COc1ccc(CC#Cc2ccc3c(c2)c(=O)n(Cc2ccc(C(=O)O)cc2)c2nncn32)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 10/20 0.61
SLC22A8 Q8TCC7 2/20 0.58
BCL2L11 O43521 1/20 0.39
PTGER4 P35408 1/20 0.39
PDE1A P54750 4/20 0.38
PDE1B Q01064 4/20 0.38
PDE1C Q14123 4/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CCR2 P41597 1/20 0.38
DPP4 P27487 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
SCHEMBL6231362 0.92 MMP13 (0.52) MMP13SLC22A8BCL2L11PDE1APDE1B
SCHEMBL6233774 0.91 MMP13 (0.52) MMP13SLC22A8PDE1APDE1BPDE1C
SCHEMBL6247434 0.90 MMP13 (0.68) MMP13SLC22A8
SCHEMBL6231376 0.83 MMP13 (0.82) MMP13SLC22A8POLBSMN1; SMN2DPP4
SCHEMBL6212954 0.83 MMP13 (0.60) MMP13SLC22A8PTGER4POLB
SCHEMBL6229879 0.82 MMP13 (0.55) MMP13SLC22A8SMN1; SMN2
SCHEMBL15806029 0.81 MMP13 (0.55) MMP13SLC22A8
SCHEMBL6212989 0.78 MMP13 (0.54) MMP13PTGER4POLB
SCHEMBL10021372 0.78 MMP13 (0.61) MMP13SLC22A8SMN1; SMN2
SCHEMBL6214058 0.77 MMP13 (0.54) MMP13SLC22A8PTGER4POLB

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-20040034086-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib ROARK WILLIAM HOWARD (US) 2004-02-19 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-20040034086-A1 Combination of an allosteric inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP11, MMP13, MMP10 MMP13 2/4885SLC22A8 255/4885BCL2L11 1330/4885

“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.