SCHEMBL2294864

SCHEMBL2294864

O=C(Nc1nccs1)ON=C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.52
TSHR P16473 4/20 0.51
GAA P10253 2/20 0.51
ALDH1A1 P00352 4/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPK1 P28482 2/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SPR P35270 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 2/20 0.44
HSD11B1 P28845 1/20 0.44
NR3C1 P04150 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL2292040 0.87 NPC1 (0.49) NPC1TSHRGAAALDH1A1MEN1
SCHEMBL2294488 0.84 L3MBTL1 (0.49) NPC1TSHRGAAALDH1A1LMNA
SCHEMBL2289836 0.84 EPHX2 (0.47) GAAALDH1A1MEN1KMT2ALMNA
SCHEMBL2291074 0.83 LMNA (0.53) GAAALDH1A1MEN1KMT2ALMNA
SCHEMBL2295386 0.82 KMT2A (0.51) TSHRALDH1A1MEN1KMT2ALMNA
SCHEMBL2292379 0.81 TSHR (0.50) TSHRGAAALDH1A1MEN1KMT2A
SCHEMBL2294071 0.80 ALDH1A1 (0.51) GAAALDH1A1MEN1KMT2ALMNA
SCHEMBL2292594 0.80 ALDH1A1 (0.52) GAAALDH1A1LMNA
SCHEMBL2292202 0.80 MEN1 (0.50) TSHRALDH1A1MEN1KMT2AMAPK1
SCHEMBL2297161 0.80 L3MBTL1 (0.46) GAAALDH1A1MEN1KMT2ALMNA

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 2 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

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 NPC1 1113/4885TSHR 2852/4885GAA 3413/4885

“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.