SCHEMBL2295899

SCHEMBL2295899

O=C(CON=C1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1)Nc1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.52
CHRNB4 P30926 3/20 0.52
CHRNA3 P32297 3/20 0.52
CHRNA4 P43681 3/20 0.52
ALDH1A1 P00352 5/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
LIPE Q05469 1/20 0.49
KMT2A Q03164 5/20 0.49
EPHX1 P07099 2/20 0.49
EPHX2 P34913 2/20 0.49
THRB P10828 1/20 0.49
MEN1 O00255 3/20 0.48
MAPT P10636 2/20 0.48
POLB P06746 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47

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 0.92 LIPE (0.55) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL2296931 0.85 MEN1 (0.54) ALDH1A1LIPEKMT2AEPHX1EPHX2
SCHEMBL2298214 0.83 CYP2C9 (0.49) ALDH1A1GAALIPEKMT2AEPHX1
SCHEMBL2292550 0.83 EPHX2 (0.44) ALDH1A1GAALIPEKMT2AEPHX1
SCHEMBL2290513 0.82 MAPT (0.52) ALDH1A1GAALIPEKMT2AEPHX1
SCHEMBL2291103 0.82 KMT2A (0.56) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL2290171 0.81 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2LIPEKMT2AEPHX1
SCHEMBL4393199 0.81 LIPE (0.46) ALDH1A1SMN1; SMN2LIPEKMT2AEPHX2
SCHEMBL2295191 0.81 EPHX2 (0.63) ALDH1A1LMNAGAASMN1; SMN2KMT2A
SCHEMBL2295460 0.81 SMN1; SMN2 (0.54) ALDH1A1GAASMN1; SMN2LIPEKMT2A

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 CHRNB2 414/4885CHRNB4 404/4885CHRNA3 270/4885

“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.