SCHEMBL4534868

SCHEMBL4534868

O=CCCSCCN(CCc1cccc(Cl)c1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.43
AOC3 Q16853 1/20 0.41
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 2/20 0.41
LPAR1 Q92633 1/20 0.39
LPAR5 Q9H1C0 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 1/20 0.39
PLAAT3 P53816 2/20 0.39
PLAAT5 Q96KN8 2/20 0.39
PLAAT2 Q9NWW9 2/20 0.39
PLAAT4 Q9UL19 2/20 0.39
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38

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
SCHEMBL4519449 0.84 TAAR1 (0.43) TAAR1AOC3ALDH1A1KMT2ALPAR1
SCHEMBL4529767 0.82 TAAR1 (0.42) TAAR1AOC3ALDH1A1KMT2ALPAR1
SCHEMBL4512792 0.80 TAAR1 (0.43) TAAR1AOC3ALDH1A1KMT2ALPAR1
SCHEMBL4535289 0.79 PTPRC (0.37) TAAR1ALDH1A1SMN1; SMN2HPGD
SCHEMBL4517362 0.78 TAAR1 (0.40) TAAR1AOC3ALDH1A1KMT2ASMN1; SMN2
SCHEMBL4529675 0.75 TAAR1 (0.49) TAAR1AOC3ALDH1A1KMT2ALPAR1
SCHEMBL27720216 0.74 TAAR1 (0.36) TAAR1AOC3ALDH1A1KMT2ASMN1; SMN2
SCHEMBL4590021 0.73 CHRM2 (0.43) TAAR1AOC3ALDH1A1KMT2ASMN1; SMN2
SCHEMBL2211317 0.73 CCR6 (0.46) TAAR1AOC3ALDH1A1KMT2ALPAR1
SCHEMBL23120893 0.72 MEN1 (0.53) TAAR1KMT2ASMN1; SMN2MEN1

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 TAAR1 70/4885AOC3 900/4885ALDH1A1 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.