SCHEMBL4583764

SCHEMBL4583764

CC(C)CCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)NS(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.38
CA2 P00918 7/20 0.38
CA9 Q16790 7/20 0.38
ADRB3 P13945 5/20 0.36
ADRB1 P08588 3/20 0.36
CA12 O43570 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
AAK1 Q2M2I8 2/20 0.36
LIPG Q9Y5X9 2/20 0.34
MYC P01106 1/20 0.34
ROCK1 Q13464 1/20 0.34
LPL P06858 1/20 0.33
MGAT2 Q10469 1/20 0.33
FLT1 P17948 1/20 0.33

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
SCHEMBL4584823 0.89 ADRB3 (0.45) CA1CA2CA9ADRB3ADRB1
SCHEMBL20506493 0.83 LIPG (0.41) AAK1LIPGROCK1LPL
SCHEMBL4583885 0.79 ADRB1 (0.42) CA1CA2CA9ADRB3ADRB1
SCHEMBL4584559 0.78 ADRB3 (0.43) CA1CA2CA9ADRB3ADRB1
SCHEMBL4584858 0.77 ADRB3 (0.41) ADRB3ADRB1MYCFLT1FLT4
SCHEMBL11894825 0.72 CA1 (0.59) CA1CA2CA9CA12CA3
SCHEMBL4159434 0.70 LIPG (0.40) ADRB3ADRB1AAK1LIPGROCK1
SCHEMBL3451986 0.70 P4HB (0.43) CA1CA2CA9CA12CA3
SCHEMBL4583343 0.70 ADRB3 (0.45) CA1CA2CA9ADRB3ADRB1
SCHEMBL4459856 0.70 CDK4 (0.41) 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 2 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
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 CA1 2649/4885CA2 1133/4885CA9 608/4885

“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.