SCHEMBL4511124

SCHEMBL4511124

C=CCOC[C@H](NC(=O)O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.42
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 6/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
CYP2D6 P10635 1/20 0.39
CYP3A4 P08684 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
LIG1 P18858 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL17846011 1.00 CASP1 (0.42) CASP1CYP2C19ALDH1A1TAS1R3TAS1R1
SCHEMBL4517527 1.00 CASP1 (0.42) CASP1CYP2C19ALDH1A1TAS1R3TAS1R1
SCHEMBL17846018 0.85 ALDH1A1 (0.40) ALDH1A1CYP2D6TSHR
SCHEMBL2980410 0.85 ALDH1A1 (0.46) CASP1CYP2C19ALDH1A1CYP2D6CYP3A4
SCHEMBL2980408 0.85 ALDH1A1 (0.46) CASP1CYP2C19ALDH1A1CYP2D6CYP3A4
SCHEMBL27720281 0.83 MAPT (0.53) CASP1ALDH1A1
SCHEMBL27741029 0.83 MAPT (0.53) CASP1ALDH1A1
SCHEMBL2899494 0.79 CYP2C19 (0.56) CYP2C19ALDH1A1SMN1; SMN2HTTNCOA1
SCHEMBL17846029 0.78 TAS1R3 (0.44) ALDH1A1TAS1R3TAS1R1SMN1; SMN2HTT
SCHEMBL19305346 0.78 MMP9 (0.49) ALDH1A1SMN1; SMN2HTTNCOA1NCOA3

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 1 patent. 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

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 CASP1 3358/4885CYP2C19 540/4885ALDH1A1 243/4885

“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.