SCHEMBL2290126

SCHEMBL2290126

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.46
EPHX2 P34913 3/20 0.43
EPHX1 P07099 2/20 0.42
CYP2C9 P11712 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM2B Q8NHM5 1/20 0.41
LIPE Q05469 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL2294078 0.90 EPHX2 (0.44) EPHX2EPHX1CYP2C9MEN1KMT2A
SCHEMBL2298214 0.86 CYP2C9 (0.49) EPHX2EPHX1CYP2C9MEN1KMT2A
SCHEMBL2292696 0.85 KMT2A (0.54) EPHX2EPHX1CYP2C9MEN1KMT2A
SCHEMBL2296931 0.84 MEN1 (0.54) EPHX2EPHX1CYP2C9MEN1KMT2A
SCHEMBL2290513 0.83 MAPT (0.52) EPHX2EPHX1CYP2C9MEN1KMT2A
SCHEMBL4387903 0.82 TSHR (0.45) EPHX2EPHX1CYP2C9MEN1KMT2A
SCHEMBL2293750 0.82 TDP1 (0.56) EPHX2EPHX1CYP2C9MEN1KMT2A
SCHEMBL2288777 0.81 KMT2A (0.56) EPHX2CYP2C9MEN1KMT2AALDH1A1
SCHEMBL2290171 0.80 ALDH1A1 (0.45) EPHX2EPHX1CYP2C9MEN1KMT2A
SCHEMBL2292550 0.80 EPHX2 (0.44) EPHX2EPHX1CYP2C9MEN1KMT2A

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 HCRTR2 95/4885EPHX2 691/4885EPHX1 1024/4885

“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.