SCHEMBL3510466

SCHEMBL3510466

O=C(O)[C@H](CC1CCC(F)(F)CC1)c1ccc(S(=O)(=O)C2CC2)c(C2CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 12/20 0.40
SCN5A Q14524 4/20 0.40
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN8A Q9UQD0 1/20 0.35
GCK P35557 4/20 0.33
KCNH2 Q12809 3/20 0.32
P2RX7 Q99572 1/20 0.32

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
SCHEMBL13786517 0.88 SCN9A (0.40) SCN9ASCN5ASCN1ASCN2ASCN8A
SCHEMBL13033295 0.86 GCK (0.43) GCK
SCHEMBL3513379 0.86 GCK (0.43) GCK
SCHEMBL3510001 0.85 GCK (0.38) SCN9AGCKKCNH2
SCHEMBL13144844 0.84 KCNH2 (0.33) GCKKCNH2
SCHEMBL13033314 0.84 SCN9A (0.31) SCN9AGCK
SCHEMBL3509383 0.81 GCK (0.44) GCKKCNH2
SCHEMBL3511298 0.80 SCN9A (0.31) SCN9A
SCHEMBL3510445 0.80
SCHEMBL13786525 0.80 KCNH2 (0.46) SCN9ASCN5AGCKKCNH2

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-20130102617-A1 METHOD OF TREATING DIABETES, METABOLIC SYNDROME AND OBESITY USING PHENYLACETAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2013-04-25 US disclosed
US-8329707-B2 Substituted pyrazine compounds ASTELLAS PHARMA INC. (JP) 2012-12-11 US disclosed
US-20100286171-A1 PHENYLACETAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-11-11 US disclosed
EP-2236498-A1 PHENYL ACETAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2010-10-06 EP 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 (2 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-20100286171-A1 PHENYLACETAMIDE DERIVATIVE AADAC, PGC, PC SCN9A 1152/4885SCN5A 375/4885SCN1A 945/4885
US-20130102617-A1 METHOD OF TREATING DIABETES, METABOLIC SYNDROME AND OBESITY USING PHENYLACETAMIDE DERIVATIVE PC, PCK2, GCKR SCN9A 2623/4885SCN5A 973/4885SCN1A 2293/4885

“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.