SCHEMBL16698331

SCHEMBL16698331

NC(=NOC(=O)c1ccccc1C(F)(F)F)c1ccc2c(c1)OCO2

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 3/20 0.60
WNT3A P56704 3/20 0.60
RAB9A P51151 13/20 0.58
NPC1 O15118 12/20 0.58
MAPT P10636 9/20 0.58
SMN1; SMN2 Q16637 6/20 0.58
PKM P14618 3/20 0.58
KMT2A Q03164 2/20 0.58
POLB P06746 2/20 0.57
LMNA P02545 2/20 0.57
ALDH1A1 P00352 1/20 0.57
MEN1 O00255 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.47
PTGS2 P35354 1/20 0.44

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
SCHEMBL16698328 1.00 CTNNB1 (0.60) CTNNB1WNT3ARAB9ANPC1MAPT
SCHEMBL16697642 0.88 RAB9A (0.62) CTNNB1WNT3ARAB9ANPC1MAPT
SCHEMBL16697639 0.88 RAB9A (0.62) CTNNB1WNT3ARAB9ANPC1MAPT
SCHEMBL16698355 0.81 RAB9A (0.63) RAB9ANPC1MAPTSMN1; SMN2PKM
SCHEMBL16698350 0.81 RAB9A (0.63) RAB9ANPC1MAPTSMN1; SMN2PKM
SCHEMBL16697855 0.81 RAB9A (0.59) CTNNB1WNT3ARAB9ANPC1MAPT
SCHEMBL16697859 0.81 RAB9A (0.59) CTNNB1WNT3ARAB9ANPC1MAPT
SCHEMBL14027380 0.81 RAB9A (0.76) CTNNB1WNT3ARAB9ANPC1MAPT
SCHEMBL16698330 0.80 CTNNB1 (0.60) CTNNB1WNT3ARAB9ANPC1MAPT
SCHEMBL16697356 0.79 RAB9A (0.57) CTNNB1WNT3ARAB9ANPC1MAPT

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 3259/4885RAB9A 465/4885

“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.