SCHEMBL5963798

SCHEMBL5963798

CC(N)(F)C(F)(F)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.42
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
ACLY P53396 2/20 0.37
ARG1 P05089 1/20 0.35
ARG2 P78540 1/20 0.35
GGT1 P19440 1/20 0.34
GRM2 Q14416 1/20 0.33
CYP2C19 P33261 2/20 0.32
CYP2D6 P10635 1/20 0.32
HIF1A Q16665 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
TET2 Q6N021 1/20 0.31
BLM P54132 1/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL6011499 0.78
SCHEMBL5704665 0.78
SCHEMBL6011502 0.78
SCHEMBL1907923 0.75 THRB (0.46) THRBALDH1A1TSHRACLYCYP2C19
SCHEMBL637933 0.75 THRB (0.46) THRBALDH1A1TSHRACLYL3MBTL1
SCHEMBL8395910 0.75 THRB (0.46) THRBALDH1A1TSHRACLYCYP2C19
SCHEMBL14365547 0.75 THRB (0.46) THRBALDH1A1TSHRACLYGGT1
Trifluoroacetic Acid SCHEMBL2267588 0.75 ALDH1A1 (0.44) THRBALDH1A1TSHRARG1ARG2
SCHEMBL508043 0.73 THRB (0.56) THRBALDH1A1TSHRACLYL3MBTL1
Trifluoroacetic Acid SCHEMBL7440809 0.73 ALDH1A1 (0.42) THRBALDH1A1TSHRARG1ARG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7119073-B2 Peptides and their use as inhibitors of hepatitis C virus ns3 protease ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2006-10-10 US disclosed
US-20040142876-A1 Peptides and their use as inhibitors of hepatitis c virus ns3 protease ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2004-07-22 US disclosed
EP-1392721-A1 PEPTIDES AND THEIR USE AS INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2004-03-03 EP disclosed
WO-2002079234-A1 PEPTIDES AND THEIR USE AS INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2002-10-10 WO 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-20040142876-A1 Peptides and their use as inhibitors of hepatitis c virus ns3 protease CTRL, VIP, CTSC THRB 2838/4885ALDH1A1 2261/4885TSHR 3552/4885

“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.