SCHEMBL2295491

SCHEMBL2295491

O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC(=NO)CC1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.63
HTT P42858 2/20 0.60
PKM P14618 2/20 0.56
PKLR P30613 1/20 0.56
LMNA P02545 2/20 0.56
CNR1 P21554 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
HSD11B1 P28845 1/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL8095011 0.88 GAA (0.51) GAAHTTPKMPKLRLMNA
SCHEMBL1677156 0.83 HTT (0.65) GAAHTTPKMPKLRLMNA
SCHEMBL8211817 0.82 HTT (0.64) GAAHTTPKMPKLRLMNA
SCHEMBL27370216 0.82 HTT (0.70) GAAHTTPKMPKLRLMNA
SCHEMBL4380828 0.81 SMN1; SMN2 (0.53) GAAHTTPKMPKLRLMNA
SCHEMBL2297519 0.81 HTT (0.53) GAAHTTPKMPKLRLMNA
SCHEMBL14625303 0.80 HTT (0.68) GAAHTTPKMPKLRLMNA
SCHEMBL29944227 0.80 HTT (0.68) GAAHTTPKMPKLRLMNA
SCHEMBL4385367 0.79 HTT (0.51) GAAHTTPKMPKLRLMNA
SCHEMBL4379438 0.79 HTT (0.51) GAAHTTPKMPKLRLMNA

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-20110190300-A1 AMIDE COMPOUNDS AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2011-08-04 US disclosed
EP-2164326-A1 AMIDE COMPOUNDS AND THE USE THEREOF Euro-Celtique, S.A. (LU) 2010-03-24 EP disclosed
WO-2008150447-A1 AMIDE COMPOUNDS AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2008-12-11 WO disclosed
WO-2008150447-A1 AMIDE COMPOUNDS AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2008-12-11 WO 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-20110190300-A1 AMIDE COMPOUNDS AND THE USE THEREOF CACNA1E, CACNA1B, CACNA1S GAA 3413/4885HTT 2426/4885PKM 1843/4885

“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.