SCHEMBL2290171

SCHEMBL2290171

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
EPHX2 P34913 3/20 0.43
EPHX1 P07099 2/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP2C9 P11712 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41

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
SCHEMBL2290513 0.88 MAPT (0.52) ALDH1A1EPHX2EPHX1CYP2C9MEN1
SCHEMBL2296931 0.88 MEN1 (0.54) ALDH1A1EPHX2EPHX1CYP2C9MEN1
SCHEMBL2292550 0.87 EPHX2 (0.44) ALDH1A1EPHX2EPHX1CYP2C9MEN1
SCHEMBL2295460 0.84 SMN1; SMN2 (0.54) ALDH1A1EPHX2CYP2C9SMN1; SMN2MEN1
SCHEMBL4390696 0.83 MEN1 (0.48) ALDH1A1EPHX2EPHX1CYP2C9MEN1
SCHEMBL2298214 0.83 CYP2C9 (0.49) ALDH1A1EPHX2EPHX1CYP2C9MEN1
SCHEMBL2290055 0.82 LIPE (0.55) ALDH1A1EPHX2EPHX1CYP2C9SMN1; SMN2
SCHEMBL2290476 0.82 SMN1; SMN2 (0.48) ALDH1A1HSD17B10SMN1; SMN2MEN1KMT2A
SCHEMBL2294078 0.82 EPHX2 (0.44) ALDH1A1EPHX2EPHX1CYP2C9MEN1
SCHEMBL2295899 0.81 CHRNB2 (0.52) ALDH1A1EPHX2EPHX1CYP2C9SMN1; SMN2

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 ALDH1A1 1349/4885EPHX2 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.