SCHEMBL2293543

SCHEMBL2293543

O=C(CON=C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)NC1CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.48
CNR1 P21554 1/20 0.48
HTT P42858 3/20 0.48
POLB P06746 1/20 0.48
LMNA P02545 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 2/20 0.47
XBP1 P17861 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
TSHR P16473 1/20 0.46
CACNA1B Q00975 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL2296264 0.96 PKM (0.46) PKMCNR1HTTPOLBLMNA
SCHEMBL2292215 0.96 CNR1 (0.49) PKMCNR1HTTPOLBLMNA
SCHEMBL2296095 0.95 CNR1 (0.53) PKMCNR1HTTPOLBLMNA
SCHEMBL2288916 0.91 LMNA (0.49) PKMCNR1HTTLMNASMN1; SMN2
SCHEMBL2295478 0.86 LMNA (0.60) PKMCNR1HTTPOLBLMNA
SCHEMBL2292597 0.86 KMT2A (0.46) PKMCNR1HTTLMNASMN1; SMN2
SCHEMBL2292949 0.86 SMN1; SMN2 (0.47) PKMCNR1HTTLMNASMN1; SMN2
SCHEMBL2294367 0.86 KMT2A (0.46) PKMCNR1HTTLMNASMN1; SMN2
SCHEMBL2291043 0.86 CNR1 (0.53) CNR1HTTLMNASMN1; SMN2MAPT
SCHEMBL2297519 0.85 HTT (0.53) PKMCNR1HTTLMNASMN1; 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 PKM 1843/4885CNR1 15/4885HTT 2426/4885

“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.