Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1676739

N[C@@H](Cc1ccc(-c2cccnc2)cc1)C(=O)O.O=C(O)C(F)(F)F

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRB2 P62993 1/20 0.53
PTPN1 P18031 2/20 0.50
MKNK1 Q9BUB5 3/20 0.49
MKNK2 Q9HBH9 3/20 0.49
SLC7A5 Q01650 2/20 0.49
CYP2A6 P11509 1/20 0.49
ALPI P09923 1/20 0.49
PKM P14618 1/20 0.49
PTGS1 P23219 1/20 0.49
XIAP P98170 1/20 0.49
NR3C2 P08235 1/20 0.48
TPH1 P17752 6/20 0.48
DPP4 P27487 1/20 0.48
DPP7 Q9UHL4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TBXAS1 P24557 1/20 0.43

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
SCHEMBL353300 0.93 SLC7A5 (0.56) MKNK1MKNK2SLC7A5CYP2A6ALPI
SCHEMBL21690091 0.93 SLC7A5 (0.56) MKNK1MKNK2SLC7A5CYP2A6ALPI
SCHEMBL7606896 0.93 SLC7A5 (0.56) MKNK1MKNK2SLC7A5CYP2A6ALPI
Trifluoroacetic Acid SCHEMBL6161399 0.86 SLC7A5 (0.66) GRB2PTPN1SLC7A5ALPIPKM
SCHEMBL1676744 0.83 MKNK1 (0.45) MKNK1MKNK2CYP2A6NR3C2DPP4
Hydrochloric Acid SCHEMBL31407496 0.81 MKNK1 (0.45) MKNK1MKNK2CYP2A6NR3C2DPP4
SCHEMBL31369586 0.80 GRIA2 (0.66) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL31370046 0.79 CYP11B1 (0.52) SLC7A5CYP2A6ALPIPKMPTGS1
Trifluoroacetic Acid SCHEMBL3341612 0.79 GRB2 (0.62) GRB2PTPN1SLC7A5ALPIPKM
SCHEMBL93495 0.79 SLC7A5 (0.78) GRB2PTPN1SLC7A5ALPIPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110098477-A1 Method Of Producing Compound Having Anti-Hcv Activity CHUGAI SEIYAKU KABUSHIKI KAISHA 2011-04-28 US disclosed
EP-1908846-A1 METHOD OF PRODUCING COMPOUND HAVING ANTI-HCV ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-04-09 EP 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-20110098477-A1 Method Of Producing Compound Having Anti-Hcv Activity ERG28, HCCS, BCAT2 GRB2 2186/4885PTPN1 2457/4885MKNK1 2163/4885

“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.