SCHEMBL2565722

SCHEMBL2565722

CNC(=O)c1cccc(S(=O)(=O)C2CCCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.51
ALDH1A1 P00352 6/20 0.48
HSD17B10 Q99714 2/20 0.48
KMT2A Q03164 3/20 0.48
LMNA P02545 3/20 0.48
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HTT P42858 1/20 0.47
LOX P28300 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL3 Q96JM7 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL2566406 0.83 ALDH1A1 (0.57) AKR1C3ALDH1A1KMT2ALMNALOX
SCHEMBL2566255 0.82 AKR1C3 (0.68) AKR1C3ALDH1A1KMT2ALMNAMAPT
SCHEMBL30921570 0.82 AKR1C3 (0.68) AKR1C3ALDH1A1KMT2ALMNAMAPT
SCHEMBL16903002 0.81 SMN1; SMN2 (0.62) ALDH1A1KMT2ALMNAHDAC8HDAC6
SCHEMBL29503132 0.81 GAA (0.55) AKR1C3ALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL16408484 0.81 AKR1C3 (0.66) AKR1C3ALDH1A1KMT2ALMNAHTT
SCHEMBL1000570 0.81 AKR1C3 (0.66) AKR1C3ALDH1A1KMT2ALMNAHTT
SCHEMBL27745866 0.80 AKR1C3 (0.48) AKR1C3ALDH1A1HSD17B10KMT2ALMNA
SCHEMBL17128989 0.78 HTR2B (0.63) ALDH1A1KMT2ASMN1; SMN2L3MBTL1MAPT
SCHEMBL1001949 0.78 MEN1 (0.67) ALDH1A1KMT2ALMNAHTTSMN1; 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 4 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
EP-2013183-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR Laboratorios Almirall, S.A. (ES) 2009-01-14 EP disclosed
WO-2007124898-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE β2 ADRENERGIC RECEPTOR LABORATORIOS, ALMIRALL S.A. (ES) 2007-11-08 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-20090082378-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE B2 ADRENERGIC RECEPTOR ADRB2, ADRA2C, ADRB1 AKR1C3 364/4885ALDH1A1 365/4885HSD17B10 657/4885

“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.