Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1013828

COC(=O)[C@H]1CNCCN1Cc1ccc(Cl)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.42
F9 P00740 1/20 0.42
F10 P00742 1/20 0.42
F12 P00748 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
F7 P08709 1/20 0.42
PRSS3 P35030 1/20 0.42
SLC2A1 P11166 1/20 0.42
CYP3A4 P08684 2/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
ATM Q13315 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
PKM P14618 1/20 0.37
PTGER4 P35408 1/20 0.37
MEN1 O00255 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
Trifluoroacetic Acid SCHEMBL4662866 1.00 F2 (0.42) F2F9F10F12PRSS1
SCHEMBL1014543 0.92 CYP3A4 (0.46) CYP3A4DRD2DRD4ATMKDM4E
SCHEMBL1014542 0.92 CYP3A4 (0.46) CYP3A4DRD2DRD4ATMKDM4E
Trifluoroacetic Acid SCHEMBL30867894 0.91 FKBP1A (0.42) SLC2A1CNR2PKM
SCHEMBL6793000 0.84 FKBP1A (0.46) ALDH1A1
Trifluoroacetic Acid SCHEMBL1013575 0.82 F2 (0.41) F2F9F10F12PRSS1
SCHEMBL22800977 0.82 CYP3A4 (0.50) CYP3A4ALDH1A1KDM4EMEN1KMT2A
SCHEMBL15094620 0.81 MGLL (0.51) ALDH1A1KDM4ECNR1CNR2POLB
Trifluoroacetic Acid SCHEMBL6706496 0.80 ALDH1A1 (0.51) ATMALDH1A1KDM4EPKMMEN1
Trifluoroacetic Acid SCHEMBL23113577 0.77 F2 (0.38) F2F9F10F12PRSS1

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
EP-2272858-A2 HCV inhibitors comprising beta amino acids and their uses Novartis AG (CH) 2011-01-12 EP disclosed
EP-2007787-A2 HCV INHIBITORS COMPRISING BETA AMINO ACIDS AND THEIR USES Novartis AG (CH) 2008-12-31 EP disclosed
US-20080045530-A1 Organic Compounds and Their Uses BRANDL TRIXI 2008-02-21 US disclosed
WO-2007121124-A2 HCV INHIBITORS COMPRISING BETA AMINO ACIDS AND THEIR USES NOVARTIS AG (CH) 2007-10-25 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-20080045530-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 F2 1674/4885F9 3618/4885F10 2892/4885

“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.