SCHEMBL2563598

SCHEMBL2563598

CS(=O)(=O)OCCOCCCCCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPT P10636 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ACHE P22303 5/20 0.47
MAOB P27338 1/20 0.47
CHRM2 P08172 2/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL2563689 1.00 TDP1 (0.48) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL23100793 0.99 MAPT (0.49) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL2563647 0.95 TDP1 (0.48) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL14764990 0.92 TDP1 (0.53) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL8269374 0.92 TDP1 (0.53) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL21071153 0.90 MAPT (0.54) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL30274324 0.89 HPGD (0.50) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL10954191 0.89 HPGD (0.50) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL25042572 0.89 HPGD (0.50) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2
SCHEMBL30001029 0.88 HPGD (0.47) TDP1L3MBTL1MAPTRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2013183-B1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ALMIRALL SA (ES) 2011-11-02 EP disclosed
US-20090082378-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE B2 ADRENERGIC RECEPTOR LABORATORIOS ALMIRALL, S.A. (ES) 2009-03-26 US 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-20090082378-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE B2 ADRENERGIC RECEPTOR ADRB2, ADRA2C, ADRB1 TDP1 3636/4885L3MBTL1 4420/4885MAPT 3679/4885

“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.