SCHEMBL4583885

SCHEMBL4583885

CC(C)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)NS(C)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 4/20 0.42
ADRB3 P13945 4/20 0.42
CA1 P00915 10/20 0.39
CA2 P00918 10/20 0.39
CA9 Q16790 10/20 0.39
CA12 O43570 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
HIF1A Q16665 4/20 0.37
MYC P01106 1/20 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
SCHEMBL4583343 0.81 ADRB3 (0.45) ADRB1ADRB3CA1CA2CA9
SCHEMBL4584823 0.81 ADRB3 (0.45) ADRB1ADRB3CA1CA2CA9
SCHEMBL4584559 0.81 ADRB3 (0.43) ADRB1ADRB3CA1CA2CA9
SCHEMBL4583764 0.79 CA1 (0.38) ADRB1ADRB3CA1CA2CA9
SCHEMBL4583979 0.75 ADRB1 (0.47) ADRB1ADRB3IRAK4MYC
SCHEMBL11894825 0.74 CA1 (0.59) CA1CA2CA9CA12CA3
SCHEMBL3451986 0.73 P4HB (0.43) CA1CA2CA9CA12CA3
SCHEMBL20504704 0.72 KDM4E (0.58) CA1CA2CA9CA12CA3
SCHEMBL19918521 0.70 LPL (0.42) CA1CA2CA9CA12CA3
SCHEMBL15465521 0.69 AAK1 (0.47) CA1CA2CA9CA12CA3

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 ADRB1 70/4885ADRB3 86/4885CA1 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.