SCHEMBL4584018

SCHEMBL4584018

CC(C)Sc1cc(Br)ccc1C(=O)NS(C)(=O)=O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 7/20 0.50
ADRB1 P08588 3/20 0.46
ADRB2 P07550 1/20 0.44
FLT1 P17948 5/20 0.41
FLT4 P35916 5/20 0.41
KDR P35968 5/20 0.41
MYC P01106 2/20 0.41
PTPRG P23470 1/20 0.40
CA2 P00918 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.37
POLB P06746 2/20 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
SCHEMBL4585819 0.79 PTPRC (0.47) ADRB3MYCPTPRGL3MBTL1ALDH1A1
SCHEMBL4585841 0.78 NR4A2 (0.46) CA2L3MBTL1ALDH1A1POLB
SCHEMBL4583979 0.77 ADRB1 (0.47) ADRB3ADRB1FLT1FLT4KDR
SCHEMBL4584559 0.76 ADRB3 (0.43) ADRB3ADRB1ADRB2MYCPTPRG
SCHEMBL4583559 0.76 ADRB3 (0.55) ADRB3ADRB1ADRB2
SCHEMBL4583570 0.76 ADRB3 (0.51) ADRB3ADRB1FLT1FLT4KDR
SCHEMBL4584858 0.74 ADRB3 (0.41) ADRB3ADRB1FLT1FLT4KDR
SCHEMBL20504804 0.74 CA12 (0.46) CA2L3MBTL1ALDH1A1POLB
SCHEMBL22091934 0.74 GPR27 (0.53) ADRB3ADRB1FLT1FLT4KDR
SCHEMBL17172420 0.71 MYC (0.71) FLT1FLT4KDRMYC

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 70/4885ADRB2 58/4885

“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.