SCHEMBL1799264

SCHEMBL1799264

CC(C)(C)OC(=O)N(Cc1cccc(CC(=O)O)c1)CC(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.49
NR1H3 Q13133 10/20 0.45
NR1H2 P55055 9/20 0.43
MEN1 O00255 1/20 0.43
NR1I2 O75469 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
RXRA P19793 1/20 0.43
VHL P40337 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
GLS O94925 1/20 0.41
PTGES O14684 1/20 0.40

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
SCHEMBL7606227 0.81 HDAC3 (0.51) BACE1ALDH1A1RECQLHDAC3HDAC1
SCHEMBL4128906 0.80 GLS (0.42) BACE1NR1H3NR1H2RXRAHDAC3
SCHEMBL14987121 0.79 GLS (0.56) MEN1KMT2AGLS
SCHEMBL1801153 0.79 HDAC1 (0.47) BACE1NR1H2MEN1KMT2AHDAC3
SCHEMBL24323598 0.78 BACE1 (0.62) BACE1MEN1KMT2AHDAC3HDAC1
SCHEMBL29059512 0.78 BACE1 (0.62) BACE1MEN1KMT2AHDAC3HDAC1
SCHEMBL1799972 0.76 HDAC1 (0.43) BACE1HDAC3HDAC1HDAC2NCOR2
SCHEMBL8127646 0.76 HDAC1 (0.53) BACE1ALDH1A1RECQLHDAC3HDAC1
SCHEMBL19359210 0.76 BACE1 (0.47) BACE1ALDH1A1MAPTHDAC3HDAC1
SCHEMBL7604647 0.75 BACE1 (0.46) BACE1HDAC3HDAC1HDAC2NCOR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951954-B2 Bezothiazol derivatives as Beta2 adrenoreceptor agonists ASTRAZENECA AB (SE) 2011-05-31 US disclosed
CN-101443320-A Benzothiazole derivatives as beta 2 adrenoreceptor agonists ASTRAZENECA AB (SE) 2009-05-27 CN disclosed
US-20090062259-A1 Bezothiazol Derivatives as Beta2 Adrenoreceptor Agonists ASTRAZENECA AB (SE) 2009-03-05 US disclosed
EP-1996566-A1 BEZOTHIAZOL DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS AstraZeneca AB (SE) 2008-12-03 EP disclosed
WO-2007106016-A1 BEZOTHIAZOL DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS ASTRAZENECA AB (SE) 2007-09-20 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-20090062259-A1 Bezothiazol Derivatives as Beta2 Adrenoreceptor Agonists ADRB2, ADRB1, ADRB3 BACE1 377/4885NR1H3 104/4885NR1H2 37/4885

“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.