SCHEMBL4583570

SCHEMBL4583570

CC(C)Cc1cc(Br)ccc1C(=O)NS(C)(=O)=O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 5/20 0.51
ADRB1 P08588 3/20 0.51
SCN9A Q15858 3/20 0.42
CXCR1 P25024 2/20 0.42
CXCR2 P25025 2/20 0.42
MAPT P10636 2/20 0.41
FLT1 P17948 4/20 0.40
FLT4 P35916 4/20 0.40
KDR P35968 4/20 0.40
MYC P01106 2/20 0.40
SCN5A Q14524 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL4584858 0.86 ADRB3 (0.41) ADRB3ADRB1SCN9AFLT1FLT4
SCHEMBL1622385 0.79 ALDH1A1 (0.38) ADRB3ADRB1MAPTFLT1FLT4
SCHEMBL4167084 0.77 MAPT (0.47) ADRB3ADRB1MAPTMYCL3MBTL1
SCHEMBL5703923 0.77 ADRB3 (0.64) ADRB3ADRB1SCN9ACXCR1CXCR2
SCHEMBL27647574 0.77 MAPT (0.43) MAPTL3MBTL1NPC1RAB9ALMNA
SCHEMBL4468280 0.77 NR4A2 (0.46) MAPTL3MBTL1LMNAHPGD
SCHEMBL4584018 0.76 ADRB3 (0.50) ADRB3ADRB1FLT1FLT4KDR
SCHEMBL4583979 0.76 ADRB1 (0.47) ADRB3ADRB1FLT1FLT4KDR
SCHEMBL5704025 0.75 ADRB3 (0.65) ADRB3ADRB1SCN9A
SCHEMBL4584823 0.75 ADRB3 (0.45) ADRB3ADRB1SCN9ACXCR1CXCR2

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 70/4885SCN9A 1148/4885

“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.