SCHEMBL4934273

SCHEMBL4934273

CCOc1ccc(-c2ccc(N(CC(=O)O)S(C)(=O)=O)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.64
NPC1 O15118 5/20 0.59
ALDH1A1 P00352 5/20 0.59
LMNA P02545 1/20 0.59
POLB P06746 1/20 0.58
RAB9A P51151 3/20 0.56
L3MBTL1 Q9Y468 1/20 0.53
HTT P42858 1/20 0.52
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
PTPN2 P17706 1/20 0.50
PTPN1 P18031 1/20 0.50
PTPN6 P29350 1/20 0.50
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL4927214 0.86 KEAP1 (0.68) SMN1; SMN2NPC1ALDH1A1LMNAPOLB
SCHEMBL4934333 0.82 SMN1; SMN2 (0.70) SMN1; SMN2ALDH1A1KEAP1NFE2L2PTPN1
SCHEMBL4930553 0.81 SMN1; SMN2 (0.61) SMN1; SMN2NPC1ALDH1A1LMNAPOLB
SCHEMBL4935879 0.81 KEAP1 (0.65) SMN1; SMN2NPC1ALDH1A1POLBRAB9A
SCHEMBL4930713 0.79 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1KEAP1NFE2L2
SCHEMBL4934228 0.78 SMN1; SMN2 (0.61) SMN1; SMN2NPC1ALDH1A1LMNAPOLB
SCHEMBL4933383 0.78 SMN1; SMN2 (0.57) SMN1; SMN2NPC1POLBRAB9AKEAP1
SCHEMBL3366742 0.77 KEAP1 (0.77) LMNAKEAP1NFE2L2
SCHEMBL697566 0.75 SMN1; SMN2 (0.73) SMN1; SMN2ALDH1A1LMNAL3MBTL1HTT
SCHEMBL16384049 0.75 ALDH1A1 (0.81) SMN1; SMN2NPC1ALDH1A1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080227858-A1 Inhibitors of matrix metalloproteinase GLAXO GROUP LIMITED 2008-09-18 US disclosed
US-20080227858-A1 Inhibitors of matrix metalloproteinase GLAXO GROUP LIMITED 2008-09-18 US disclosed
US-20080227858-A1 Inhibitors of matrix metalloproteinase GLAXO GROUP LIMITED 2008-09-18 US disclosed
US-7375248-B2 Inhibitors of matrix metalloproteinase GLAXO GROUP LIMITED (GB) 2008-05-20 US disclosed
US-7375248-B2 Inhibitors of matrix metalloproteinase GLAXO GROUP LIMITED (GB) 2008-05-20 US disclosed
US-7375248-B2 Inhibitors of matrix metalloproteinase GLAXO GROUP LIMITED (GB) 2008-05-20 US disclosed
US-20060142385-A1 Inhibitors of matrix metalloproteinase GLAXO GROUP LIMITED (GB) 2006-06-29 US disclosed
WO-2004113279-A1 INHIBITORS OF MATRIX METALLOPROTEINASE GLAXO GROUP LIMITED (GB) 2004-12-29 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-20060142385-A1 Inhibitors of matrix metalloproteinase MMP9, MMP13, MMP26 SMN1; SMN2 3337/4885NPC1 3253/4885ALDH1A1 3385/4885
US-20080227858-A1 Inhibitors of matrix metalloproteinase MMP9, MMP13, MMP2 SMN1; SMN2 3365/4885NPC1 3274/4885ALDH1A1 3221/4885

“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.