SCHEMBL416389

SCHEMBL416389

CN(Cc1ccccc1C(F)(F)F)C(=O)CCCSc1ccc(C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.50
BCHE P06276 1/20 0.45
POLQ O75417 1/20 0.43
EPHX2 P34913 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.40
ALDH1A1 P00352 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PLA2G2A P14555 1/20 0.38
SLC6A2 P23975 3/20 0.37
SLC6A4 P31645 3/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
KMT2A Q03164 1/20 0.37
PLA2G4B P0C869 2/20 0.37
PLA2G4A P47712 1/20 0.37

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
SCHEMBL413023 0.89 ACHE (0.52) ACHEBCHEPOLQALDH1A1PPARG
SCHEMBL417417 0.89 ACHE (0.48) ACHEBCHEPOLQEPHX2ALDH1A1
SCHEMBL417559 0.82 ACHE (0.52) ACHEBCHETDP1KMT2A
SCHEMBL416849 0.76 ACHE (0.37) ACHEBCHEEPHX2ALDH1A1NPC1
SCHEMBL417570 0.76 ACHE (0.50) ACHEBCHETDP1SLC6A2SLC6A4
SCHEMBL414723 0.76 PLK1 (0.44) ALDH1A1PPARGPPARANPC1RAB9A
SCHEMBL415110 0.74 TDP1 (0.48) ALDH1A1NPC1RAB9ATDP1KMT2A
SCHEMBL416307 0.74 RAB9A (0.41) ACHEBCHEALDH1A1NPC1RAB9A
SCHEMBL419661 0.74 RAB9A (0.43) ACHEBCHEALDH1A1NPC1RAB9A
SCHEMBL418210 0.74 ACHE (0.40) ACHEBCHEALDH1A1TDP1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3039/4885POLQ 1858/4885

“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.