SCHEMBL3907689

SCHEMBL3907689

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

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CACNA1B Q00975 1/20 0.42
MMP9 P14780 1/20 0.42
SYK P43405 1/20 0.41
KLK7 P49862 1/20 0.41
KLK5 Q9Y337 1/20 0.41
SLC15A1 P46059 2/20 0.41
GPBAR1 Q8TDU6 1/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL3911478 0.90 CACNA1B (0.44) SMN1; SMN2MEN1TP53HPGDKMT2A
SCHEMBL3906404 0.84 ALDH1A1 (0.49) SMN1; SMN2MEN1TP53HPGDKMT2A
SCHEMBL28770977 0.82 CYP1A2 (0.38) SMN1; SMN2KMT2AALDH1A1CACNA1B
SCHEMBL3905937 0.82 EPHX1 (0.48) SMN1; SMN2MEN1TP53HPGDKMT2A
SCHEMBL3901742 0.82 L3MBTL1 (0.42) SMN1; SMN2KMT2AALDH1A1L3MBTL1CACNA1B
SCHEMBL30378756 0.81 CACNA1B (0.51) SMN1; SMN2MEN1TP53HPGDKMT2A
SCHEMBL3916064 0.81 GAA (0.50) SMN1; SMN2TP53MAPK1
SCHEMBL10068401 0.79 ALDH1A1 (0.49) KMT2AALDH1A1MAPK1L3MBTL1MMP9
SCHEMBL9911027 0.78 ALDH1A1 (0.46) MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL3901687 0.78 CNR2 (0.44) SMN1; SMN2MEN1TP53HPGDKMT2A

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 SMN1; SMN2 4118/4885MEN1 2833/4885TP53 2936/4885

“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.