SCHEMBL4583343

SCHEMBL4583343

CC1(C)OB(c2ccc(C(=O)NS(C)(=O)=O)c(NC3CCCCC3)c2)OC1(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 4/20 0.45
ADRB1 P08588 2/20 0.45
HIF1A Q16665 1/20 0.42
SCN9A Q15858 1/20 0.38
YAP1 P46937 1/20 0.38
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA3 P07451 2/20 0.36
CA6 P23280 2/20 0.36
CA7 P43166 2/20 0.36
CA5B Q9Y2D0 2/20 0.36
CA9 Q16790 2/20 0.36
CISD1 Q9NZ45 1/20 0.36
ALOX15 P16050 1/20 0.36
CA12 O43570 1/20 0.36
CA4 P22748 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
SCHEMBL4583885 0.81 ADRB1 (0.42) ADRB3ADRB1HIF1ACA1CA2
SCHEMBL4584618 0.78 ADRB3 (0.51) ADRB3ADRB1SCN9AYAP1MEN1
SCHEMBL27172005 0.77 HIF1A (0.42) HIF1AYAP1ALDH1A1CA1CA2
SCHEMBL6227730 0.73 NPC1 (0.51) HIF1AMEN1ALDH1A1KMT2A
SCHEMBL6226812 0.73 RAB9A (0.47) MEN1ALDH1A1KMT2A
SCHEMBL4584823 0.72 ADRB3 (0.45) ADRB3ADRB1HIF1ASCN9ACA1
SCHEMBL4584559 0.72 ADRB3 (0.43) ADRB3ADRB1HIF1ASCN9ACA1
SCHEMBL11894825 0.70 CA1 (0.59) SCN9ACA1CA2CA3CA6
SCHEMBL4583764 0.70 CA1 (0.38) ADRB3ADRB1CA1CA2CA3
SCHEMBL2943573 0.70 MEN1 (0.54) MEN1KMT2ACA1CA2CA9

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 70/4885HIF1A 4320/4885

“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.