SCHEMBL4532458

SCHEMBL4532458

CC(C)(C)OC(=O)N(CCCSCC=O)CCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.39
CCR6 P51684 1/20 0.38
PAX8 Q06710 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CTSK P43235 2/20 0.36
ALOX5 P09917 2/20 0.36
POLB P06746 1/20 0.35
CA14 Q9ULX7 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
HTT P42858 1/20 0.34

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
SCHEMBL4524217 0.86 L3MBTL1 (0.41) L3MBTL1CCR6PAX8HDAC3HDAC1
SCHEMBL1180197 0.86 TAAR1 (0.37) L3MBTL1MEN1KMT2ANPC1RAB9A
SCHEMBL4730554 0.83 MEN1 (0.44) L3MBTL1HDAC3HDAC1HDAC2MEN1
SCHEMBL25047455 0.82 MEN1 (0.43) L3MBTL1HDAC3HDAC1HDAC2NCOR2
SCHEMBL1846485 0.80 MEN1 (0.44) L3MBTL1HDAC3HDAC1HDAC2NCOR2
SCHEMBL25046666 0.80 L3MBTL1 (0.45) L3MBTL1CCR6PAX8HDAC3HDAC1
SCHEMBL25047708 0.80 HDAC3 (0.48) L3MBTL1HDAC3HDAC1HDAC2NCOR2
SCHEMBL25047584 0.80 HDAC1 (0.43) L3MBTL1HDAC3HDAC1HDAC2NCOR2
SCHEMBL4289433 0.79 L3MBTL1 (0.44) L3MBTL1HDAC3HDAC1HDAC2NCOR2
SCHEMBL25047881 0.79 L3MBTL1 (0.47) L3MBTL1HDAC3HDAC1HDAC2NCOR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221653-A1 7-(2-amino-1-hydroxy-ethyl)-4-hydroxybenzothiazol-2(3H)-one-derivatives as beta2 adrenoreceptor agonists ASTRAZENECA AB (SE) 2009-09-03 US disclosed
EP-1937656-A1 7-(2-AMINO-1-HYDROXY-ETHYL)-4-HYDROXYBENZOTHIAZOL-2(3H)-ONE-DERIVATIVES AS BETA 2 ADRENOCEPTOR AGONISTS AstraZeneca AB (SE) 2008-07-02 EP disclosed
WO-2007027134-A1 7-(2-AMINO-1-HYDROXY-ETHYL)-4-HYDROXYBENZOTHIAZOL-2(3H)-ONE-DERIVATIVES AS β2 ADRENOCEPTOR AGONISTS ASTRAZENECA AB (SE) 2007-03-08 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-20090221653-A1 7-(2-amino-1-hydroxy-ethyl)-4-hydroxybenzothiazol-2(3H)-one-derivatives as beta2 adrenoreceptor agonists ADRB2, ADRB1, ADRA2C L3MBTL1 4422/4885CCR6 2778/4885PAX8 2801/4885

“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.