SCHEMBL6539637

SCHEMBL6539637

CC(C)(C)OC(=O)N(CCc1ccc(S(=O)(=O)c2ccc(C#N)cc2)cc1)C[C@H](O)c1cccc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 10/20 0.39
BACE1 P56817 3/20 0.38
LSS P48449 1/20 0.36
ADRB1 P08588 5/20 0.35
ADRB2 P07550 3/20 0.35
NR3C1 P04150 1/20 0.35
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL6539649 1.00 ADRB3 (0.39) ADRB3BACE1LSSADRB1ADRB2
SCHEMBL6539642 1.00 ADRB3 (0.39) ADRB3BACE1LSSADRB1ADRB2
SCHEMBL6541562 0.90 BACE1 (0.40) ADRB3BACE1ADRB1ADRB2
SCHEMBL6554211 0.90 BACE1 (0.40) ADRB3BACE1ADRB1ADRB2
SCHEMBL6541553 0.90 BACE1 (0.40) ADRB3BACE1ADRB1ADRB2
SCHEMBL6541560 0.90 BACE1 (0.40) ADRB3BACE1ADRB1ADRB2
SCHEMBL6541590 0.89 ADRB3 (0.44) ADRB3BACE1ADRB1ADRB2
SCHEMBL6541582 0.89 ADRB3 (0.44) ADRB3BACE1ADRB1ADRB2
SCHEMBL6541595 0.89 ADRB3 (0.44) ADRB3BACE1ADRB1ADRB2
SCHEMBL6541176 0.88 ADRB3 (0.46) ADRB3BACE1ADRB1ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 US disclosed
EP-1389185-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 EP disclosed
WO-2002094770-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-28 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-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 ADRB3 58/4885BACE1 3900/4885LSS 1943/4885

“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.