SCHEMBL5112136

SCHEMBL5112136

CC(=O)c1ccc(OC(=O)OCc2ccccc2)c2[nH]c(=O)sc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MAOB P27338 1/20 0.38
NPC1 O15118 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
GFER P55789 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP12 P39900 1/20 0.36

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
SCHEMBL5112667 0.87 MEN1 (0.36) TDP1L3MBTL1ALDH1A1MAPK1MEN1
SCHEMBL5127294 0.86 MAPT (0.53) SMN1; SMN2MAPTCYP2C9CYP2C19TDP1
SCHEMBL5120836 0.73 FOLH1 (0.41) SMN1; SMN2MAPTCYP2C9CYP2C19TDP1
SCHEMBL22882716 0.69 ALDH1A1 (0.57) SMN1; SMN2TDP1L3MBTL1ALDH1A1MAPK1
SCHEMBL2143319 0.68 ADRB2 (0.49) ADRB2ADRB1DRD3
SCHEMBL1834302 0.68 PTPN1 (0.58) SMN1; SMN2MAPTCYP2C9CYP2C19TDP1
SCHEMBL1598774 0.67 MRGPRX4 (0.52) MAPTTDP1L3MBTL1ALDH1A1NPC1
SCHEMBL10582946 0.65 KDM4E (0.60) MAPTCYP2C9TDP1L3MBTL1ALDH1A1
SCHEMBL30416875 0.65 ALDH1A1 (0.53) SMN1; SMN2TDP1L3MBTL1ALDH1A1NPC1
SCHEMBL1838503 0.65 ALDH1A1 (0.53) SMN1; SMN2TDP1L3MBTL1ALDH1A1NPC1

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-7402598-B2 Arylethanolamine β2-adrenoreceptor agonist compounds GLAXO GROUP LIMITED (GB) 2008-07-22 US disclosed
US-20060111344-A1 Arylethanolamine beta2-adrenoreceptor agonist compounds GLAXO GROUP LIMITED (GB) 2006-05-25 US disclosed
EP-1525180-A2 ARYLETHANOLAMINE BETA2-ADRENORECEPTOR AGONIST COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-04-27 EP disclosed
WO-2004016578-A2 ARYLETHANOLAMINE BETA2-ADRENORECEPTOR AGONIST COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-02-26 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-20060111344-A1 Arylethanolamine beta2-adrenoreceptor agonist compounds ADRB2, ADRB1, ADRA2A SMN1; SMN2 2025/4885MAPT 2592/4885CYP2C9 1091/4885

“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.