SCHEMBL16697641

SCHEMBL16697641

N=C(NOC(=O)c1c(C(F)(F)F)cccc1C(F)(F)F)c1ccc2c(c1)OCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 3/20 0.50
WNT3A P56704 3/20 0.50
CCR2 P41597 1/20 0.44
RAB9A P51151 7/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.43
P2RX4 Q99571 1/20 0.43
P2RX7 Q99572 1/20 0.43
NPC1 O15118 5/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
PTGS2 P35354 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 4/20 0.41
PKM P14618 3/20 0.41
TP53 P04637 1/20 0.41
CASP1 P29466 1/20 0.41

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
SCHEMBL16698330 0.90 CTNNB1 (0.60) CTNNB1WNT3ACCR2RAB9ASMN1; SMN2
SCHEMBL16697639 0.80 RAB9A (0.62) CTNNB1WNT3ACCR2RAB9ASMN1; SMN2
SCHEMBL16697642 0.80 RAB9A (0.62) CTNNB1WNT3ACCR2RAB9ASMN1; SMN2
SCHEMBL16701197 0.78 NPC1 (0.49) RAB9ASMN1; SMN2LMNAALDH1A1NPC1
SCHEMBL16698353 0.77 RAB9A (0.69) CTNNB1WNT3ARAB9ASMN1; SMN2LMNA
SCHEMBL16698156 0.75 ALDH1A1 (0.51) CTNNB1WNT3ARAB9ASMN1; SMN2LMNA
SCHEMBL16697358 0.73 RAB9A (0.49) CTNNB1WNT3ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL16697151 0.71 RAB9A (0.47) CTNNB1WNT3ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL16697795 0.71 RAB9A (0.47) CTNNB1WNT3ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL16698331 0.70 CTNNB1 (0.60) CTNNB1WNT3ARAB9ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150133495-A1 Substituted Acyloxyamidines as HCV NS3/4A Inhibitors VIROCURA THERAPEUTICS INC (CA) 2015-05-14 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-20150133495-A1 Substituted Acyloxyamidines as HCV NS3/4A Inhibitors EIF2AK2, GTF3C4, GTF3C1 CTNNB1 4006/4885WNT3A 3259/4885CCR2 2433/4885

“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.