SCHEMBL5127294

SCHEMBL5127294

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

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MAOB P27338 3/20 0.46
CA9 Q16790 1/20 0.44
BRD4 O60885 1/20 0.41
HPGD P15428 1/20 0.41
SGMS2 Q8NHU3 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
FOLH1 Q04609 1/20 0.40
CXCR2 P25025 1/20 0.39
CX3CR1 P49238 1/20 0.39
LRRK2 Q5S007 1/20 0.39
FFAR4 Q5NUL3 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL5112136 0.86 SMN1; SMN2 (0.41) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL5120836 0.86 FOLH1 (0.41) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL29498305 0.77 MAPT (0.54) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL98338 0.77 MAPT (0.54) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL4230593 0.76 ADRB2 (0.49)
SCHEMBL5492582 0.76 MAPT (0.53) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL6430534 0.75 ADRB2 (0.48)
SCHEMBL5112667 0.73 MEN1 (0.36) TDP1L3MBTL1HPGDMEN1KMT2A
SCHEMBL30147524 0.72 MAPT (0.65) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1
SCHEMBL26021326 0.72 MAPT (0.65) MAPTCYP2C9CYP2C19SMN1; SMN2TDP1

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 MAPT 2592/4885CYP2C9 1091/4885CYP2C19 897/4885

“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.