SCHEMBL6682398

SCHEMBL6682398

Cc1ccc(S(=O)(=O)c2ccc(C[C@@H](C)N(C[C@H](O)c3cccc(Cl)c3)C(=O)OC(C)(C)C)cc2)c(CCC(=O)O)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 11/20 0.38
ADRB2 P07550 9/20 0.38
ADRB1 P08588 9/20 0.38
BACE1 P56817 2/20 0.37
CYP2D6 P10635 2/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
CYP3A4 P08684 1/20 0.34
HIF1A Q16665 1/20 0.34
SLC2A1 P11166 1/20 0.34
CNR2 P34972 1/20 0.33

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
SCHEMBL6682392 1.00 ADRB3 (0.38) ADRB3ADRB2ADRB1BACE1CYP2D6
SCHEMBL6678508 0.93 BACE1 (0.36) ADRB3ADRB2ADRB1BACE1CYP2D6
SCHEMBL6678505 0.93 BACE1 (0.36) ADRB3ADRB2ADRB1BACE1CYP2D6
SCHEMBL6677758 0.85 BACE1 (0.36) ADRB3ADRB2ADRB1BACE1CYP2D6
SCHEMBL6803612 0.85 BACE1 (0.36) ADRB3ADRB2ADRB1BACE1CYP2D6
SCHEMBL6803609 0.85 BACE1 (0.36) ADRB3ADRB2ADRB1BACE1CYP2D6
SCHEMBL6802054 0.85 BACE1 (0.36) ADRB3ADRB2ADRB1BACE1CYP2D6
SCHEMBL6677752 0.85 BACE1 (0.36) ADRB3ADRB2ADRB1BACE1CYP2D6
SCHEMBL6803924 0.84 BACE1 (0.36) ADRB3ADRB2ADRB1BACE1CYP2D6
SCHEMBL6803605 0.84 BACE1 (0.36) ADRB3ADRB2ADRB1BACE1CYP2D6

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 150/4885ADRB2 30/4885ADRB1 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.