SCHEMBL4519919

SCHEMBL4519919

CCOc1ccc(CCNC(=O)O)cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.67
ACACB O00763 3/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
NPC1 O15118 1/20 0.67
RAB9A P51151 1/20 0.67
KMT2A Q03164 2/20 0.59
GLA P06280 1/20 0.59
LMNA P02545 1/20 0.59
ALPI P09923 1/20 0.59
PKM P14618 1/20 0.59
TAS1R3 Q7RTX0 1/20 0.58
TAS1R1 Q7RTX1 1/20 0.58
TAS1R2 Q8TE23 1/20 0.58
POLB P06746 1/20 0.54
PTPN1 P18031 1/20 0.54

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
SCHEMBL17935564 0.87 NPC1 (0.68) MAPTACACBSMN1; SMN2NPC1RAB9A
SCHEMBL12475741 0.87 ACACB (0.86) MAPTACACBSMN1; SMN2NPC1RAB9A
SCHEMBL9439608 0.86 KMT2A (0.53) MAPTACACBSMN1; SMN2NPC1RAB9A
SCHEMBL4583404 0.83 SMN1; SMN2 (0.75) SMN1; SMN2NPC1RAB9AKMT2AGLA
SCHEMBL15514715 0.83 NPC1 (0.66) MAPTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL23928140 0.83 KMT2A (0.59) MAPTACACBSMN1; SMN2NPC1RAB9A
SCHEMBL12001427 0.83 ACACB (0.79) MAPTACACBSMN1; SMN2NPC1RAB9A
SCHEMBL1309567 0.83 ALDH1A1 (0.55) MAPTACACBSMN1; SMN2NPC1RAB9A
SCHEMBL29699746 0.81 KMT2A (0.61) MAPTACACBSMN1; SMN2NPC1RAB9A
SCHEMBL29673799 0.81 KMT2A (0.61) MAPTACACBSMN1; SMN2NPC1RAB9A

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 MAPT 2437/4885ACACB 1643/4885SMN1; SMN2 3368/4885

“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.