SCHEMBL4935409

SCHEMBL4935409

CC(C)CCOc1ccc(N(CC(=O)OC(C)(C)C)S(C)(=O)=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
MAPK1 P28482 1/20 0.45
MMP3 P08254 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
EPHX2 P34913 1/20 0.43
NPC1 O15118 3/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.41
PTPN1 P18031 3/20 0.41
GAA P10253 1/20 0.41
POLB P06746 1/20 0.41
MMP2 P08253 2/20 0.40
MMP9 P14780 2/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL4934228 0.84 SMN1; SMN2 (0.61) ALDH1A1MAPK1MMP3SMN1; SMN2EPHX2
SCHEMBL25902481 0.78 MAPK1 (0.48) ALDH1A1MAPK1MMP3SMN1; SMN2EPHX2
SCHEMBL8302189 0.77 SMN1; SMN2 (0.46) ALDH1A1MAPK1SMN1; SMN2LMNAPTPN1
SCHEMBL14805378 0.75 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2LMNAHTTPTPN1
SCHEMBL24279552 0.75 MAPT (0.50) ALDH1A1SMN1; SMN2LMNAPOLBMMP2
SCHEMBL4935297 0.72 EPHX2 (0.58) ALDH1A1MAPK1MMP3SMN1; SMN2EPHX2
SCHEMBL12330823 0.69 EPHX2 (0.69) ALDH1A1MAPK1EPHX2RAB9A
SCHEMBL3910101 0.68 GAA (0.53) ALDH1A1MAPK1MMP3SMN1; SMN2EPHX2
SCHEMBL19553789 0.67 EPHX2 (0.51) ALDH1A1MAPK1EPHX2
1,4-Diisopentoxybenzene SCHEMBL2846102 0.67 TDP1 (0.79) ALDH1A1MAPK1MMP3SMN1; SMN2EPHX2

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 ALDH1A1 3385/4885MAPK1 2761/4885MMP3 14/4885
US-20080227858-A1 Inhibitors of matrix metalloproteinase MMP9, MMP13, MMP2 ALDH1A1 3221/4885MAPK1 2950/4885MMP3 14/4885

“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.