SCHEMBL6803924

SCHEMBL6803924

CC/C(=C\c1cc(C)ccc1S(=O)(=O)c1ccc(C[C@@H](C)N(C[C@@H](O)c2cccc(Cl)c2)C(=O)OC(C)(C)C)cc1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.36
ADRB3 P13945 14/20 0.35
ADRB1 P08588 12/20 0.35
ADRB2 P07550 11/20 0.35
CYP2D6 P10635 2/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
CYP3A4 P08684 1/20 0.33
HIF1A Q16665 1/20 0.33
GLA P06280 1/20 0.32

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
SCHEMBL6803605 1.00 BACE1 (0.36) BACE1ADRB3ADRB1ADRB2CYP2D6
SCHEMBL6803607 1.00 BACE1 (0.36) BACE1ADRB3ADRB1ADRB2CYP2D6
SCHEMBL6677752 0.89 BACE1 (0.36) BACE1ADRB3ADRB1ADRB2CYP2D6
SCHEMBL6802054 0.89 BACE1 (0.36) BACE1ADRB3ADRB1ADRB2CYP2D6
SCHEMBL6803609 0.89 BACE1 (0.36) BACE1ADRB3ADRB1ADRB2CYP2D6
SCHEMBL6803612 0.89 BACE1 (0.36) BACE1ADRB3ADRB1ADRB2CYP2D6
SCHEMBL6677758 0.89 BACE1 (0.36) BACE1ADRB3ADRB1ADRB2CYP2D6
SCHEMBL6803604 0.87 BACE1 (0.35) BACE1ADRB3ADRB1ADRB2CYP2D6
SCHEMBL6803923 0.87 BACE1 (0.35) BACE1ADRB3ADRB1ADRB2CYP2D6
SCHEMBL6682392 0.84 ADRB3 (0.38) BACE1ADRB3ADRB1ADRB2CYP2D6

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-20040106653-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-03 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-20040106653-A1 Aminoalcohol derivatives FANCD2, FANCI, HRH2 BACE1 4413/4885ADRB3 150/4885ADRB1 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.