SCHEMBL2295460

SCHEMBL2295460

O=C(CON=C1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1)NCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
PKM P14618 1/20 0.48
ALDH1A1 P00352 3/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 3/20 0.46
LIPE Q05469 1/20 0.46
CYP2C9 P11712 1/20 0.46
MEN1 O00255 2/20 0.46
EPHX2 P34913 1/20 0.45

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
SCHEMBL2290055 0.87 LIPE (0.55) SMN1; SMN2ALDH1A1GAAKMT2ALIPE
SCHEMBL2292550 0.86 EPHX2 (0.44) ALDH1A1GAAKMT2ALIPECYP2C9
SCHEMBL2290513 0.85 MAPT (0.52) ALDH1A1GAAKMT2ALIPECYP2C9
SCHEMBL2296931 0.85 MEN1 (0.54) ALDH1A1KMT2ALIPECYP2C9MEN1
SCHEMBL2298214 0.84 CYP2C9 (0.49) ALDH1A1GAAKMT2ALIPECYP2C9
SCHEMBL2290171 0.84 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1KMT2ALIPECYP2C9
SCHEMBL2297393 0.83 LMNA (0.52) SMN1; SMN2PKMALDH1A1GAAKMT2A
SCHEMBL2295899 0.81 CHRNB2 (0.52) SMN1; SMN2ALDH1A1GAAKMT2ALIPE
SCHEMBL421892 0.80 PKM (0.52) SMN1; SMN2PKMALDH1A1KMT2ALIPE
SCHEMBL2295191 0.80 EPHX2 (0.63) SMN1; SMN2ALDH1A1GAAKMT2AMEN1

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 6 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
US-20110190300-A1 AMIDE COMPOUNDS AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2011-08-04 US disclosed
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 SMN1; SMN2 993/4885PKM 1843/4885ALDH1A1 1349/4885

“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.