SCHEMBL4584823

SCHEMBL4584823

CC(C)Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)NS(C)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 5/20 0.45
ADRB1 P08588 3/20 0.45
CA1 P00915 7/20 0.38
CA2 P00918 7/20 0.38
CA9 Q16790 7/20 0.38
CA12 O43570 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
AAK1 Q2M2I8 2/20 0.37
CXCR1 P25024 2/20 0.36
CXCR2 P25025 2/20 0.36
SCN9A Q15858 1/20 0.35
MYC P01106 1/20 0.35
ROCK1 Q13464 1/20 0.35
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
SCHEMBL4583764 0.89 CA1 (0.38) ADRB3ADRB1CA1CA2CA9
SCHEMBL4159434 0.82 LIPG (0.40) ADRB3ADRB1AAK1ROCK1HIF1A
SCHEMBL4459856 0.81 CDK4 (0.41) CA1CA2CA9CA12CA3
SCHEMBL4583885 0.81 ADRB1 (0.42) ADRB3ADRB1CA1CA2CA9
SCHEMBL4584559 0.80 ADRB3 (0.43) ADRB3ADRB1CA1CA2CA9
SCHEMBL4583570 0.75 ADRB3 (0.51) ADRB3ADRB1CXCR1CXCR2SCN9A
SCHEMBL11894825 0.73 CA1 (0.59) CA1CA2CA9CA12CA3
SCHEMBL20561755 0.73 ROCK1 (0.41) CA1CA2CA9CA12CA3
SCHEMBL3451986 0.72 P4HB (0.43) CA1CA2CA9CA12CA3
SCHEMBL4583343 0.72 ADRB3 (0.45) ADRB3ADRB1CA1CA2CA9

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-7417060-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2008-08-26 US disclosed
EP-1697301-A2 AMINOALCOHOL DERIVATIVES Astellas Pharma Inc. (JP) 2006-09-06 EP disclosed
WO-2005061433-A2 AMINOALCOHOL DERIVATIVES ASTELLAS PHARMA INC. (JP) 2005-07-07 WO disclosed
US-20050137236-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-23 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-20050137236-A1 Aminoalcohol derivatives GPR39, PRMT9, CHRM2 ADRB3 86/4885ADRB1 70/4885CA1 2649/4885

“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.