Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4006403

C[C@@H]1CNC[C@H](C)N1C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.34
CHRNA7 P36544 5/20 0.34
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
SLC6A2 P23975 3/20 0.32
SLC6A4 P31645 3/20 0.32
SLC6A3 Q01959 3/20 0.32
CHRNB2 P17787 5/20 0.31
CHRNB4 P30926 5/20 0.31
CHRNA3 P32297 5/20 0.31
CHRNA4 P43681 5/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTR2A P28223 2/20 0.31
HTR2B P41595 2/20 0.31
PKM P14618 1/20 0.31

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
Trifluoroacetic Acid SCHEMBL15558160 1.00 HTR2C (0.34) HTR2CCHRNA7DPP4DPP8DPP7
Trifluoroacetic Acid SCHEMBL4836781 1.00 HTR2C (0.34) HTR2CCHRNA7DPP4DPP8DPP7
Trifluoroacetic Acid SCHEMBL2916218 1.00 HTR2C (0.34) HTR2CCHRNA7DPP4DPP8DPP7
Trifluoroacetic Acid SCHEMBL29996327 0.80 HTR2C (0.36) HTR2CCHRNA7DPP4DPP8DPP7
Trifluoroacetic Acid SCHEMBL21847051 0.79 HTR2C (0.35) HTR2CCHRNA7DPP4DPP8DPP7
Trifluoroacetic Acid SCHEMBL15547392 0.79 HTR2C (0.35) HTR2CCHRNA7DPP4DPP8DPP7
Trifluoroacetic Acid SCHEMBL25267493 0.78 IRAK4 (0.37) CHRNA7DPP4DPP8DPP7SLC6A3
Trifluoroacetic Acid SCHEMBL21816594 0.78 PKM (0.36) HTR2CDPP4DPP8DPP7HTR2A
Trifluoroacetic Acid SCHEMBL21816711 0.78 PKM (0.36) HTR2CDPP4DPP8DPP7HTR2A
Trifluoroacetic Acid SCHEMBL2917931 0.78 PKM (0.36) HTR2CDPP4DPP8DPP7HTR2A

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
US-7521441-B2 Cyclopropyl fused indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-21 US disclosed
US-7517872-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-14 US disclosed
US-20080206191-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2008-08-28 US disclosed
WO-2007140109-A1 CYCLOPROPYL FUSED INDOLOBENZAZEPINE HCV NS5B INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-06 WO disclosed
US-20070270406-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-11-22 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 (2 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-20070270406-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors HAVCR2, ZC3HAV1, HCCS HTR2C 725/4885CHRNA7 3779/4885DPP4 297/4885
US-20080206191-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 HTR2C 3167/4885CHRNA7 4647/4885DPP4 806/4885

“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.