SCHEMBL3905937

SCHEMBL3905937

NC(=O)C(CC(=O)OCc1ccccc1)c1ccc(Br)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.48
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
SLC15A1 P46059 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
MMP9 P14780 1/20 0.42
CNR2 P34972 1/20 0.42
FABP7 O15540 1/20 0.40
FABP5 Q01469 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
SCHEMBL3906404 0.89 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1SLC15A1SMN1; SMN2
SCHEMBL14395281 0.83 SLC15A1 (0.50) ALDH1A1MAPK1L3MBTL1SLC15A1SMN1; SMN2
SCHEMBL26505618 0.83 SLC15A1 (0.50) ALDH1A1MAPK1L3MBTL1SLC15A1SMN1; SMN2
SCHEMBL3905724 0.82 CNR2 (0.43) EPHX1ALDH1A1MAPK1L3MBTL1SMN1; SMN2
SCHEMBL3907689 0.82 SMN1; SMN2 (0.43) ALDH1A1MAPK1L3MBTL1SLC15A1SMN1; SMN2
SCHEMBL3901687 0.79 CNR2 (0.44) ALDH1A1MAPK1L3MBTL1SMN1; SMN2MEN1
SCHEMBL1705106 0.78 ALDH1A1 (0.56) EPHX1ALDH1A1MAPK1L3MBTL1SLC15A1
SCHEMBL28609652 0.78 EPHX1 (0.77) EPHX1MEN1KMT2ACNR2
SCHEMBL3911478 0.77 CACNA1B (0.44) ALDH1A1MAPK1L3MBTL1SMN1; SMN2MEN1
SCHEMBL8819851 0.77 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1SLC15A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7476759-B2 e.g. 4-Amino-3-(4'-cyano-1,1'-biphenyl-4-yl)-4-oxobutanoic acid; antiinflammatory , anticarcinogenic, antiasthmatic agent; autoimmune disorder; osteoarthritis, rubella, Alzheimer's, Parkinson's diseases, epilepsy, osteoporosis GLAXO GROUP LIMITED (GB) 2009-01-13 US disclosed
US-20060235074-A1 Matrix metalloproteinase inhibitors GLAXO GROUP LIMITED (GB) 2006-10-19 US disclosed
EP-1654218-A2 MATRIX METALLOPROTEINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2006-05-10 EP disclosed
WO-2005016868-A2 MATRIX METALLOPROTEINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-02-24 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-20060235074-A1 Matrix metalloproteinase inhibitors MMP13, MMP9, MMP24 EPHX1 1386/4885ALDH1A1 2636/4885MAPK1 2898/4885

“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.