SCHEMBL4584918

SCHEMBL4584918

CC(C)Oc1cc(B(O)O)ccc1C(=O)NS(C)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 10/20 0.47
ADRB1 P08588 5/20 0.46
BCL2L1 Q07817 5/20 0.40
SCN9A Q15858 2/20 0.39
MYC P01106 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
HTR2A P28223 1/20 0.36
TSPO P30536 1/20 0.36
GPR183 P32249 1/20 0.36
APLNR P35414 1/20 0.36
RXFP1 Q9HBX9 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
SCHEMBL1622410 0.82 ADRB3 (0.36) ADRB3ADRB1BCL2L1IRAK4HTR2A
SCHEMBL4584315 0.82 ADRB1 (0.42) ADRB3ADRB1SCN9A
SCHEMBL1622644 0.80 BCL2L1 (0.36) ADRB3ADRB1BCL2L1SCN9AIRAK4
SCHEMBL4585947 0.79 SCN9A (0.56) ADRB3ADRB1SCN9A
SCHEMBL4582967 0.79 SCN9A (0.43) ADRB3ADRB1SCN9A
SCHEMBL5703690 0.78 ADRB3 (0.46) ADRB3ADRB1BCL2L1SCN9AIRAK4
SCHEMBL4583898 0.72 ADRB3 (0.66) ADRB3ADRB1
SCHEMBL5704207 0.70 ADRB3 (0.63) ADRB3ADRB1
SCHEMBL29954406 0.69 CA2 (0.39) IRAK4
SCHEMBL29954995 0.67 TTR (0.42)

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 70/4885BCL2L1 1376/4885

“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.