SCHEMBL30199232

SCHEMBL30199232

O=S(=O)(Cl)c1cnc2c(c1)CCCO2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 4/20 0.34
OGA O60502 1/20 0.34
BRD4 O60885 1/20 0.33
ACHE P22303 4/20 0.32
MAPK1 P28482 2/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SYK P43405 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31
ALDH1A1 P00352 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30

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
SCHEMBL19707192 1.00 GRM1 (0.34) GRM1OGABRD4ACHEMAPK1
SCHEMBL19692901 0.77 USP9X (0.42) ALDH1A1HSD17B10
SCHEMBL9877020 0.76 ACHE (0.41) GRM1BRD4ACHEMAPK1TP53
SCHEMBL29952687 0.75 GRM1 (0.34) GRM1ACHEMAPK1TP53CYP3A4
SCHEMBL29650255 0.75 MAP4K1 (0.37) ALDH1A1HSD17B10
SCHEMBL19693184 0.75 ADRA2A (0.41) MAPK1TP53SMN1; SMN2CA12CA1
SCHEMBL29650253 0.75 ADRA2A (0.41) MAPK1TP53SMN1; SMN2CA12CA1
SCHEMBL21606986 0.73 ALK (0.34) GRM1BRD4ACHEMAPK1TP53
SCHEMBL20731174 0.73 ACHE (0.38) GRM1ACHEMAPK1TP53CYP3A4
SCHEMBL22575141 0.73 GRM1 (0.34) GRM1ACHEMAPK1TP53CYP3A4

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-11560386-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2023-01-24 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-11560386-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of disorders related thereto ADRB3, ADRB1, ADRB2 GRM1 2216/4885OGA 2947/4885BRD4 2670/4885

“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.