SCHEMBL8097441

SCHEMBL8097441

NCc1cc(F)cc(OCC(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MAOB P27338 6/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
THRB P10828 1/20 0.39
G6PD P11413 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LOXL2 Q9Y4K0 3/20 0.36

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
SCHEMBL16954465 0.82 CYP4F2 (0.51) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL22861004 0.82 MAPT (0.47) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL24051776 0.81 MAPT (0.55) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL16234319 0.78 FFAR4 (0.39) MAOBLOXL2IDO1CYP4F2CYP4A11
SCHEMBL13570960 0.78 MAOB (0.41) MAOBLOXL2IDO1CYP4F2CYP4A11
SCHEMBL13540946 0.75 MAOB (0.49) MAPTALDH1A1MAOBLOXL2LOX
SCHEMBL16551505 0.74 MAPT (0.50) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL1181898 0.74 MAPT (0.50) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL13104141 0.74 MAPT (0.50) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL2560890 0.74 MAPT (0.46) MAPTALDH1A1MEN1KMT2ALMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009024615-A1 AMINOBENZYL-SUBSTITUTED CYCLIC SULFONES USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2009-02-26 WO disclosed
US-20090054427-A1 AMINOBENZYL-SUBSTITUTED CYCLIC SULFONES USEFUL AS BACE INHIBITORS BRIARD EMMANUELLE 2009-02-26 US disclosed
US-20090054427-A1 AMINOBENZYL-SUBSTITUTED CYCLIC SULFONES USEFUL AS BACE INHIBITORS BRIARD EMMANUELLE 2009-02-26 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-20090054427-A1 AMINOBENZYL-SUBSTITUTED CYCLIC SULFONES USEFUL AS BACE INHIBITORS BACE2, BACE1, APP MAPT 49/4885ALDH1A1 2720/4885MEN1 2484/4885

“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.