SCHEMBL417417

SCHEMBL417417

COC(=O)c1ccc(SCCCC(=O)N(C)Cc2ccccc2C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.48
BCHE P06276 1/20 0.43
KIF11 P52732 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
RAB9A P51151 2/20 0.39
EPHX2 P34913 4/20 0.39
POLQ O75417 1/20 0.38
MAPT P10636 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
PPARG P37231 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 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
SCHEMBL416389 0.89 ACHE (0.50) ACHEBCHEKIF11RAB9AEPHX2
SCHEMBL413023 0.86 ACHE (0.52) ACHEBCHERAB9APOLQMAOA
SCHEMBL414460 0.85 ACHE (0.51) ACHEBCHEL3MBTL1RAB9ATDP1
SCHEMBL416849 0.81 ACHE (0.37) ACHEBCHEEPHX2SLC6A2SLC6A4
SCHEMBL414627 0.79 MEN1 (0.43) ACHEBCHEL3MBTL1RAB9AMAPT
SCHEMBL417570 0.78 ACHE (0.50) ACHEBCHESLC6A2SLC6A4TDP1
SCHEMBL417466 0.77 L3MBTL1 (0.42) L3MBTL1ALDH1A1GAAKMT2A
SCHEMBL417559 0.75 ACHE (0.52) ACHEBCHETDP1MEN1GAA
SCHEMBL413391 0.75 ACHE (0.49) ACHEBCHETDP1MEN1GAA
SCHEMBL412451 0.75 ACHE (0.54) ACHEBCHERAB9ATDP1NPC1

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-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2012-01-26 US claimed
EP-2196453-A1 Novel substituted aryl derivatives, their process of preparation and their therapeutical uses as anti-HIV agents Cellvir (FR) 2010-06-16 EP claimed
US-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2012-01-26 US disclosed
EP-2376431-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2011-10-19 EP disclosed
WO-2010066847-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS CELLVIR (FR) 2010-06-17 WO disclosed
EP-2196453-A1 Novel substituted aryl derivatives, their process of preparation and their therapeutical uses as anti-HIV agents Cellvir (FR) 2010-06-16 EP 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-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS HAVCR2, MAVS, EIF2AK2 ACHE 4296/4885BCHE 3039/4885KIF11 3617/4885

“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.