SCHEMBL6540342

SCHEMBL6540342

CC(C)(C)OC(=O)N(CCc1ccc(S(=O)(=O)c2cccc(C(=O)NCCC(=O)O)c2)cc1)C[C@H](O)c1cccc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADRB3 P13945 11/20 0.37
ADRB1 P08588 6/20 0.37
ADRB2 P07550 2/20 0.37
NAMPT P43490 1/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL6540346 1.00 BACE1 (0.38) BACE1ALDH1A1NPC1TP53RAB9A
SCHEMBL6541213 0.93 BACE1 (0.39) BACE1ALDH1A1NPC1TP53RAB9A
SCHEMBL6541210 0.93 BACE1 (0.39) BACE1ALDH1A1NPC1TP53RAB9A
SCHEMBL6540750 0.92 BACE1 (0.35) BACE1ALDH1A1NPC1TP53RAB9A
SCHEMBL6540758 0.92 BACE1 (0.35) BACE1ALDH1A1NPC1TP53RAB9A
SCHEMBL6540274 0.89 ADRB3 (0.42) BACE1ADRB3ADRB1
SCHEMBL6540282 0.89 ADRB3 (0.42) BACE1ADRB3ADRB1
SCHEMBL6540953 0.88 BACE1 (0.39) BACE1ADRB3ADRB1ADRB2NAMPT
SCHEMBL6540643 0.88 BACE1 (0.39) BACE1ADRB3ADRB1ADRB2NAMPT
SCHEMBL6540949 0.88 BACE1 (0.39) BACE1ADRB3ADRB1ADRB2NAMPT

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 BACE1 3900/4885ALDH1A1 188/4885NPC1 4399/4885

“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.