SCHEMBL6787629

SCHEMBL6787629

CC1(C(O)c2ccc(Oc3ccc(Cl)cn3)cc2)NC(=O)NC1=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.41
SCN9A Q15858 3/20 0.39
MMP13 P45452 10/20 0.37
HRH3 Q9Y5N1 1/20 0.37
FPR2 P25090 1/20 0.37
ADAMTS4 O75173 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP12 P39900 1/20 0.36
ADAMTS5 Q9UNA0 1/20 0.36
LTA4H P09960 1/20 0.35
P2RX3 P56373 2/20 0.35
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34

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
SCHEMBL6787131 0.82 CYP3A4 (0.41) LIPESCN9AP2RX3
SCHEMBL7149449 0.80 MMP13 (0.42) LIPESCN9AMMP13HRH3FPR2
SCHEMBL1108576 0.77 PTGS1 (0.41) LIPESCN9AMMP13HRH3FPR2
SCHEMBL1108546 0.77 PTGS1 (0.41) LIPESCN9AMMP13HRH3FPR2
SCHEMBL6790620 0.77 MMP2 (0.43) MMP13ADAMTS4MMP2MMP3MMP12
SCHEMBL6793983 0.72 MMP2 (0.45) MMP13MMP2
SCHEMBL942365 0.72 MMP13 (0.45) LIPEMMP13ADAMTS4MMP2MMP3
SCHEMBL6798530 0.70 MMP13 (0.56) MMP13MMP2PTGS1PTGS2
SCHEMBL6795889 0.70 CYP19A1 (0.35) MMP2
SCHEMBL6705457 0.70 HSD11B1 (0.36) MMP13MMP2ADAMTS5

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040147573-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-29 US disclosed
US-20040110809-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-06-10 US disclosed
EP-1370536-A1 METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2003-12-17 EP disclosed
EP-1370538-A1 METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2003-12-17 EP disclosed
WO-2002074752-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 WO disclosed
WO-2002074750-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 WO 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-20040110809-A1 Metalloproteinase inhibitors MMP9, MMP2, MMP3 LIPE 2959/4885SCN9A 2886/4885MMP13 6/4885
US-20040147573-A1 Metalloproteinase inhibitors MMP12, MMP7, MMP10 LIPE 1310/4885SCN9A 869/4885MMP13 19/4885

“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.