Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3209972

COC(=O)[C@H](N)C(C)C.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.39
DPP7 Q9UHL4 5/20 0.35
DPP4 P27487 4/20 0.35
CA14 Q9ULX7 2/20 0.34
CA12 O43570 1/20 0.34
DPP8 Q6V1X1 4/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
FAP Q12884 1/20 0.33
DPP9 Q86TI2 1/20 0.33
PDF Q9HBH1 1/20 0.32
S1PR2 O95136 3/20 0.32
S1PR1 P21453 3/20 0.32
S1PR3 Q99500 3/20 0.32
S1PR5 Q9H228 2/20 0.32
ANPEP P15144 1/20 0.32
PSMB5 P28074 1/20 0.32

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 SCHEMBL2489003 1.00 SLC7A5 (0.43) SLC7A5SMN1; SMN2DPP7DPP4CA14
Trifluoroacetic Acid SCHEMBL3209975 1.00 SLC7A5 (0.43) SLC7A5SMN1; SMN2DPP7DPP4CA14
SCHEMBL135982 0.85
SCHEMBL204828 0.85
SCHEMBL135981 0.85
Acetic Acid SCHEMBL28031091 0.83 SLC7A5 (0.50) SLC7A5SMN1; SMN2DPP7DPP4CA14
Bromide SCHEMBL28463121 0.83 SMN1; SMN2 (0.48) SLC7A5SMN1; SMN2DPP7DPP4CA14
Hydrochloric Acid SCHEMBL345942 0.83 SMN1; SMN2 (0.48) SLC7A5SMN1; SMN2DPP7DPP4CA14
Bromide SCHEMBL28463120 0.83 SMN1; SMN2 (0.48) SLC7A5SMN1; SMN2DPP7DPP4CA14
SCHEMBL2239379 0.83 SMN1; SMN2 (0.48) SLC7A5SMN1; SMN2DPP7DPP4CA14

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-20130303547-A1 HCV Protease Inhibitors and Uses Thereof ABBVIE INC (US) 2013-11-14 US disclosed
US-8497275-B2 HCV protease inhibitors and uses thereof ABBVIE INC. (US) 2013-07-30 US disclosed
US-20100029686-A1 HCV PROTEASE INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2010-02-04 US disclosed
WO-2008074035-A1 HCV PROTEASE INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2008-06-19 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 (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-20130303547-A1 HCV Protease Inhibitors and Uses Thereof SERPINB1, PEPD, PREP SLC7A5 1251/4885SMN1; SMN2 4574/4885DPP7 35/4885
US-20100029686-A1 HCV PROTEASE INHIBITORS AND USES THEREOF SERPINB1, PEPD, PREP SLC7A5 1251/4885SMN1; SMN2 4574/4885DPP7 35/4885

“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.