SCHEMBL2293750

SCHEMBL2293750

O=C(CON=C1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1)N1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.56
KMT2A Q03164 4/20 0.55
LMNA P02545 3/20 0.50
EPHX2 P34913 2/20 0.46
ALDH1A1 P00352 2/20 0.43
CYP2C9 P11712 1/20 0.43
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PKM P14618 2/20 0.42
LIPE Q05469 1/20 0.42
MEN1 O00255 1/20 0.41
EPHX1 P07099 1/20 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
SCHEMBL2288777 0.99 KMT2A (0.56) TDP1KMT2ALMNAEPHX2ALDH1A1
SCHEMBL2298214 0.87 CYP2C9 (0.49) KMT2AEPHX2ALDH1A1CYP2C9LIPE
SCHEMBL2296931 0.84 MEN1 (0.54) KMT2AEPHX2ALDH1A1CYP2C9LIPE
SCHEMBL2294078 0.84 EPHX2 (0.44) KMT2AEPHX2ALDH1A1CYP2C9LIPE
SCHEMBL2292550 0.83 EPHX2 (0.44) KMT2AEPHX2ALDH1A1CYP2C9LIPE
SCHEMBL2290126 0.82 HCRTR2 (0.46) KMT2AEPHX2ALDH1A1CYP2C9SMN1; SMN2
SCHEMBL2295191 0.81 EPHX2 (0.63) KMT2ALMNAEPHX2ALDH1A1SMN1; SMN2
SCHEMBL2290055 0.81 LIPE (0.55) KMT2ALMNAEPHX2ALDH1A1CYP2C9
SCHEMBL2290513 0.81 MAPT (0.52) TDP1KMT2AEPHX2ALDH1A1CYP2C9
SCHEMBL2290171 0.80 ALDH1A1 (0.45) TDP1KMT2AEPHX2ALDH1A1CYP2C9

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 TDP1 3290/4885KMT2A 2564/4885LMNA 2476/4885

“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.