SCHEMBL4472271

SCHEMBL4472271

CC(C)(C)OC(=O)N(CCc1ccc(OS(=O)(=O)C(F)(F)F)cc1)C[C@@H](O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 7/20 0.41
BACE1 P56817 5/20 0.41
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CXCR2 P25025 2/20 0.36
TAAR1 Q96RJ0 1/20 0.36
CXCR1 P25024 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL4472266 1.00 ADRB3 (0.41) ADRB3BACE1KDM4EALDH1A1GAA
SCHEMBL4461517 0.90 CYP51A1 (0.41) ADRB3BACE1
SCHEMBL4458820 0.90 BACE1 (0.41) ADRB3BACE1
SCHEMBL4461518 0.90 CYP51A1 (0.41) ADRB3BACE1
SCHEMBL4458816 0.90 BACE1 (0.41) ADRB3BACE1
SCHEMBL6802914 0.86 ADRB3 (0.39) ADRB3BACE1
SCHEMBL6802909 0.86 ADRB3 (0.39) ADRB3BACE1
SCHEMBL4463452 0.85 ADRB3 (0.39) ADRB3BACE1CXCR2CXCR1
SCHEMBL4463459 0.85 ADRB3 (0.39) ADRB3BACE1CXCR2CXCR1
SCHEMBL27635276 0.84 GLI1 (0.46) ADRB3BACE1KDM4EALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629366-B2 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2009-12-08 US disclosed
US-20060100252-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2006-05-11 US disclosed
US-7037938-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2006-05-02 US disclosed
US-20040006143-A1 For therapy of urinary incontinence FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-08 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 (2 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-20060100252-A1 Aminoalcohol derivatives H1-0, CHRM2, CHRM1 ADRB3 130/4885BACE1 3315/4885KDM4E 2289/4885
US-20040006143-A1 For therapy of urinary incontinence H1-0, HRH2, H1-2 ADRB3 568/4885BACE1 3808/4885KDM4E 1554/4885

“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.