SCHEMBL4582967

SCHEMBL4582967

CS(=O)(=O)NC(=O)c1ccc(B(O)O)cc1OCCF

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 17/20 0.43
SCN5A Q14524 1/20 0.39
GRM2 Q14416 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
MCL1 Q07820 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
SCHEMBL4584315 0.86 ADRB1 (0.42) SCN9ASCN5AGRM2ADRB1ADRB3
SCHEMBL5704149 0.81 SCN9A (0.43) SCN9ASCN5AGRM2ADRB1ADRB3
SCHEMBL4584918 0.79 ADRB3 (0.47) SCN9AADRB1ADRB3
SCHEMBL4585947 0.74 SCN9A (0.56) SCN9AADRB1ADRB3
SCHEMBL5522353 0.71 TSHR (0.44)
SCHEMBL5520238 0.70 APP (0.45)
SCHEMBL22067283 0.69 KCNMA1 (0.48) SCN9AADRB1ADRB3
SCHEMBL7991086 0.69 ALDH1A1 (0.56) GRM2ADRB1ADRB3MCL1
SCHEMBL4585857 0.68 KDM4E (0.44) SCN9AADRB1ADRB3
SCHEMBL1622410 0.68 ADRB3 (0.36) ADRB1ADRB3

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 SCN9A 1148/4885SCN5A 3022/4885GRM2 958/4885

“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.