SCHEMBL4560474

SCHEMBL4560474

CN(CCCSC(C=O)SCCCN(C)CCc1ccccc1)CCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 0.55
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
TAAR1 Q96RJ0 1/20 0.43
EBP Q15125 2/20 0.43
FDPS P14324 1/20 0.43
TMEM97 Q5BJF2 1/20 0.42

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
SCHEMBL4520076 0.79 SIGMAR1 (0.55) SIGMAR1SLC6A2SLC6A4SLC6A3TAAR1
SCHEMBL7440692 0.75 SIGMAR1 (0.62) SIGMAR1SLC6A2SLC6A4SLC6A3TAAR1
Demelverine SCHEMBL1516521 0.75 SIGMAR1 (0.76) SIGMAR1SLC6A2SLC6A4SLC6A3TAAR1
Demelverine SCHEMBL7778459 0.73 SIGMAR1 (0.63) SIGMAR1TAAR1FDPSTMEM97
SCHEMBL11134428 0.73 SIGMAR1 (0.96) SIGMAR1SLC6A2SLC6A4SLC6A3TAAR1
SCHEMBL9768687 0.73 SIGMAR1 (0.73) SIGMAR1SLC6A2SLC6A4SLC6A3TAAR1
SCHEMBL4523007 0.73 SIGMAR1 (0.58) SIGMAR1SLC6A2SLC6A4SLC6A3TAAR1
Maleic Acid SCHEMBL7430214 0.72 FDPS (0.52) SIGMAR1SLC6A2SLC6A4SLC6A3FDPS
Fumaric Acid SCHEMBL7430224 0.72 FDPS (0.52) SIGMAR1SLC6A2SLC6A4SLC6A3FDPS
SCHEMBL7371550 0.72 SIGMAR1 (1.00) SIGMAR1TAAR1FDPS

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 SIGMAR1 174/4885SLC6A2 173/4885SLC6A4 679/4885

“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.