SCHEMBL2295191

SCHEMBL2295191

O=C(CON=C1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1)NC1CCCCC1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.63
ALDH1A1 P00352 3/20 0.59
EPHX1 P07099 2/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GAA P10253 2/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 1/20 0.46
ATM Q13315 1/20 0.45
HTT P42858 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
SCHEMBL2296931 0.85 MEN1 (0.54) EPHX2ALDH1A1EPHX1MEN1KMT2A
SCHEMBL2298214 0.82 CYP2C9 (0.49) EPHX2ALDH1A1EPHX1MEN1KMT2A
SCHEMBL2292550 0.82 EPHX2 (0.44) EPHX2ALDH1A1EPHX1MEN1KMT2A
SCHEMBL2296095 0.82 CNR1 (0.53) EPHX2ALDH1A1MEN1KMT2AGAA
SCHEMBL2288777 0.82 KMT2A (0.56) EPHX2ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4383065 0.82 EPHX2 (0.52) EPHX2EPHX1MEN1KMT2AGAA
SCHEMBL2290055 0.81 LIPE (0.55) EPHX2ALDH1A1EPHX1MEN1KMT2A
SCHEMBL2290513 0.81 MAPT (0.52) EPHX2ALDH1A1EPHX1MEN1KMT2A
SCHEMBL2293750 0.81 TDP1 (0.56) EPHX2ALDH1A1EPHX1MEN1KMT2A
SCHEMBL2295899 0.81 CHRNB2 (0.52) EPHX2ALDH1A1EPHX1MEN1KMT2A

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 EPHX2 691/4885ALDH1A1 1349/4885EPHX1 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.