SCHEMBL6676486

SCHEMBL6676486

CCOC(=O)c1cc(OC)ccc1S(=O)(=O)c1ccc(C[C@@H](C)N)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.46
CNR1 P21554 9/20 0.44
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CHRNA7 P36544 1/20 0.42
CNR2 P34972 1/20 0.42
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TAAR1 Q96RJ0 1/20 0.40

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
SCHEMBL6682518 0.88 MMP2 (0.43) ALDH1A1LMNAHTTSMN1; SMN2L3MBTL1
SCHEMBL6676569 0.86 CA2 (0.38) LMNAL3MBTL1KDM4ETAAR1
SCHEMBL6679407 0.86 SLC6A2 (0.43) ALDH1A1HPGDLMNATP53HTT
SCHEMBL6804926 0.84 CA2 (0.36) LMNAL3MBTL1KDM4ETAAR1
SCHEMBL6680578 0.83 HPGD (0.42) ALDH1A1HPGDLMNATP53SMN1; SMN2
SCHEMBL6677304 0.83 CNR1 (0.54) CNR1ALDH1A1HPGDLMNATP53
SCHEMBL6675932 0.82 GAA (0.40) ALDH1A1LMNASMN1; SMN2CHRNA7
SCHEMBL6677650 0.81 CA2 (0.41) LMNAL3MBTL1KDM4ETAAR1
SCHEMBL6677206 0.80 F2 (0.40) ALDH1A1LMNAHTTSMN1; SMN2KDM4E
SCHEMBL6676723 0.80 CA2 (0.43) SLC6A4CNR1ALDH1A1HPGDTP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040106653-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-03 US disclosed
WO-2004045610-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-06-03 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-20040106653-A1 Aminoalcohol derivatives FANCD2, FANCI, HRH2 SLC6A4 2109/4885CNR1 112/4885ALDH1A1 168/4885

“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.