SCHEMBL4584858

SCHEMBL4584858

CC(C)CCc1cc(Br)ccc1C(=O)NS(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 5/20 0.41
ADRB1 P08588 3/20 0.40
FLT1 P17948 6/20 0.39
FLT4 P35916 6/20 0.39
KDR P35968 6/20 0.39
MYC P01106 2/20 0.39
SCN9A Q15858 5/20 0.37
SCN5A Q14524 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MCL1 Q07820 1/20 0.35

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
SCHEMBL4583570 0.86 ADRB3 (0.51) ADRB3ADRB1FLT1FLT4KDR
SCHEMBL4583561 0.79 MCL1 (0.42) MYCL3MBTL1MCL1
SCHEMBL28761693 0.78 HPGD (0.38) L3MBTL1
SCHEMBL4583764 0.77 CA1 (0.38) ADRB3ADRB1FLT1FLT4KDR
SCHEMBL5703995 0.74 ADRB3 (0.51) ADRB3ADRB1
SCHEMBL4584018 0.74 ADRB3 (0.50) ADRB3ADRB1FLT1FLT4KDR
SCHEMBL4583979 0.74 ADRB1 (0.47) ADRB3ADRB1FLT1FLT4KDR
SCHEMBL22091934 0.71 GPR27 (0.53) ADRB3ADRB1FLT1FLT4KDR
SCHEMBL4585857 0.70 KDM4E (0.44) ADRB3ADRB1SCN9AL3MBTL1
SCHEMBL17172420 0.69 MYC (0.71) FLT1FLT4KDRMYCSCN9A

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 70/4885FLT1 4651/4885

“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.