SCHEMBL4583979

SCHEMBL4583979

CC(C)Nc1cc(Br)ccc1C(=O)NS(C)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 4/20 0.47
ADRB3 P13945 4/20 0.47
IRAK4 Q9NWZ3 1/20 0.42
FLT1 P17948 5/20 0.41
FLT4 P35916 5/20 0.41
KDR P35968 5/20 0.41
MYC P01106 2/20 0.41
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
ACLY P53396 1/20 0.38
BCL2L1 Q07817 1/20 0.38
MAPK1 P28482 1/20 0.37
USP2 O75604 1/20 0.36
HTT P42858 1/20 0.36
POLB P06746 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
SCHEMBL4583836 0.79 ACLY (0.54) ADRB1ADRB3MYCALDH1A1L3MBTL1
SCHEMBL30633692 0.79 MAPK1 (0.42) ALDH1A1L3MBTL1ACLYMAPK1USP2
SCHEMBL4584618 0.78 ADRB3 (0.51) ADRB1ADRB3ALDH1A1
SCHEMBL4584018 0.77 ADRB3 (0.50) ADRB1ADRB3FLT1FLT4KDR
SCHEMBL4583570 0.76 ADRB3 (0.51) ADRB1ADRB3FLT1FLT4KDR
SCHEMBL4585616 0.76 ABCG2 (0.49) ALDH1A1L3MBTL1MAPK1POLB
SCHEMBL27668022 0.75 ACLY (0.39) IRAK4ALDH1A1L3MBTL1ACLYBCL2L1
SCHEMBL4583885 0.75 ADRB1 (0.42) ADRB1ADRB3IRAK4MYC
SCHEMBL30633733 0.75 HSP90AB1 (0.40) ALDH1A1L3MBTL1ACLYMAPK1USP2
SCHEMBL4584858 0.74 ADRB3 (0.41) ADRB1ADRB3FLT1FLT4KDR

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 86/4885IRAK4 4819/4885

“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.