SCHEMBL5613741

SCHEMBL5613741

CC(=O)Nc1cccc(-c2ccc(CCC(O)CC(=O)O)cc2)c1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 13/20 0.65
MMP13 P45452 10/20 0.65
MMP2 P08253 1/20 0.65
MMP9 P14780 1/20 0.65
MMP14 P50281 1/20 0.65
MME P08473 1/20 0.59
CYP17A1 P05093 2/20 0.55
CYP11B1 P15538 1/20 0.55
CYP11B2 P19099 1/20 0.55
PTGIR P43119 2/20 0.47
ADAMTS4 O75173 1/20 0.47

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
SCHEMBL5613739 0.81 MMP12 (0.74) MMP12MMP13MMP2MMP9MMP14
SCHEMBL5613354 0.80 MMP12 (1.00) MMP12MMP13MMP2MMP9MMP14
SCHEMBL5613400 0.80 MMP12 (0.76) MMP12MMP13MMP2MMP9MMP14
SCHEMBL5613327 0.79 MMP12 (0.74) MMP12MMP13MMP2MMP9MMP14
SCHEMBL8325840 0.79 MMP12 (0.74) MMP12MMP13MMP2MMP9MMP14
SCHEMBL3466490 0.78 CYP17A1 (0.52) MMP2MMECYP17A1CYP11B1CYP11B2
SCHEMBL3466703 0.76 MGLL (0.51) MMP2MMECYP17A1CYP11B1CYP11B2
SCHEMBL3786463 0.76 NQO2 (0.73) CYP17A1CYP11B1CYP11B2
SCHEMBL5613445 0.76 MMP12 (1.00) MMP12MMP13MMP2MMP9MMP14
SCHEMBL5613397 0.75 MMP12 (1.00) MMP12MMP13MMP2MMP9MMP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7250439-B2 Matrix metalloproteinase inhibitors GLAXO GROUP LIMITED (GB) 2007-07-31 US disclosed
US-7250439-B2 Matrix metalloproteinase inhibitors GLAXO GROUP LIMITED (GB) 2007-07-31 US disclosed
US-7250439-B2 Matrix metalloproteinase inhibitors GLAXO GROUP LIMITED (GB) 2007-07-31 US disclosed
EP-1654213-B1 MATRIX METALLOPROTEINASE INHIBITORS GLAXO GROUP LTD (GB) 2007-05-23 EP disclosed
EP-1654213-B1 MATRIX METALLOPROTEINASE INHIBITORS GLAXO GROUP LTD (GB) 2007-05-23 EP disclosed
US-20060160875-A1 Matrix metalloproteinase inhibitors GLAXO GROUP LIMITED (GB) 2006-07-20 US disclosed
EP-1654213-A1 MATRIX METALLOPROTEINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2006-05-10 EP disclosed
WO-2004110974-A1 MATRIX METALLOPROTEINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-12-23 WO disclosed
WO-2004110974-A1 MATRIX METALLOPROTEINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-12-23 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 (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-20060160875-A1 Matrix metalloproteinase inhibitors MMP9, MMP20, MMP10 MMP12 43/4885MMP13 10/4885MMP2 11/4885

“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.