SCHEMBL4525967

SCHEMBL4525967

C=CCN(CCc1cccc(C(F)(F)F)c1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
OPRM1 P35372 2/20 0.44
OPRD1 P41143 2/20 0.44
OPRK1 P41145 2/20 0.44
MAPT P10636 1/20 0.43
SERPINE1 P05121 1/20 0.43
S1PR1 P21453 1/20 0.43
GRK5 P34947 1/20 0.43
CDK8 P49336 1/20 0.43
S1PR5 Q9H228 1/20 0.43
ACP3 P15309 1/20 0.43
GRM2 Q14416 1/20 0.42
GRM3 Q14832 1/20 0.42
FFAR4 Q5NUL3 3/20 0.42
FFAR1 O14842 2/20 0.42
NR4A2 P43354 2/20 0.41

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
SCHEMBL4517654 0.83 HDAC1 (0.41) MEN1KMT2AHDAC1HDAC8TAAR1
SCHEMBL4727500 0.80 KMT2A (0.53) MEN1KMT2AHDAC1HDAC8OPRM1
SCHEMBL4529675 0.80 TAAR1 (0.49) MEN1KMT2ATAAR1OPRM1OPRD1
Hydrochloric Acid SCHEMBL168053 0.79 TAAR1 (0.55) MEN1KMT2AHDAC1HDAC8TAAR1
SCHEMBL4514375 0.76 HDAC1 (0.43) MEN1KMT2AHDAC1HDAC8TAAR1
SCHEMBL4522949 0.75 KMT2A (0.48) MEN1KMT2AHDAC1HDAC8TAAR1
SCHEMBL25337304 0.75 TAAR1 (0.53) MEN1KMT2AHDAC1HDAC8TAAR1
SCHEMBL14282039 0.74 TDP1 (0.46) MEN1KMT2AOPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL25337090 0.74 TAAR1 (0.51) MEN1KMT2AHDAC1HDAC8TAAR1
SCHEMBL30645131 0.73 MEN1 (0.50) MEN1KMT2AHDAC1HDAC8TAAR1

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 MEN1 3481/4885KMT2A 1651/4885HDAC1 2635/4885

“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.