SCHEMBL6677034

SCHEMBL6677034

CCOC(=O)c1cccc(-c2ccc(S(=O)(=O)c3ccc(CCCN(Cc4ccccc4)C[C@H](O)c4cccc(Cl)c4)cc3)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 7/20 0.44
TP53 P04637 1/20 0.43
ADRB1 P08588 6/20 0.40
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
ADRB2 P07550 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
SCHEMBL6805378 0.96 TP53 (0.42) ADRB3TP53ADRB1MAPTMAPK1
SCHEMBL6677084 0.93 TP53 (0.45) ADRB3TP53ADRB1MAPTMAPK1
SCHEMBL6804359 0.93 TP53 (0.45) ADRB3TP53ADRB1MAPTMAPK1
SCHEMBL6802965 0.93 TP53 (0.43) ADRB3TP53ADRB1MAPTMAPK1
SCHEMBL6541193 0.92 TP53 (0.51) ADRB3TP53ADRB1MAPTMAPK1
SCHEMBL6541200 0.92 TP53 (0.51) ADRB3TP53ADRB1MAPTMAPK1
SCHEMBL6680804 0.90 ADRB3 (0.47) ADRB3TP53ADRB1MAPTCYP4F2
SCHEMBL6805821 0.90 ADRB3 (0.40) ADRB3TP53ADRB1MAPTMAPK1
SCHEMBL6680803 0.90 ADRB3 (0.47) ADRB3TP53ADRB1MAPTCYP4F2
SCHEMBL6540859 0.89 TP53 (0.45) ADRB3TP53ADRB1MAPTMAPK1

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 ADRB3 150/4885TP53 3318/4885ADRB1 39/4885

“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.