Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3585015

COC(=O)CC[C@H](NNC(=O)c1ccc(N)cc1[N+](=O)[O-])C(=O)OC.O=C(O)C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
ALDH1A1 P00352 5/20 0.34
ABCB1 P08183 1/20 0.33
POLB P06746 1/20 0.33
HPD P32754 1/20 0.33
CYP3A4 P08684 2/20 0.33
ALOX15 P16050 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
NPC1 O15118 1/20 0.32
TYMS P04818 1/20 0.32
PADI4 Q9UM07 1/20 0.32
MAPK1 P28482 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
SCHEMBL3634693 0.93 MAPT (0.40) MAPTCA12CA1CA2CA9
Trifluoroacetic Acid SCHEMBL3572326 0.84 TYMS (0.39) MAPTCA1CA2ALDH1A1CYP3A4
SCHEMBL3572332 0.83 CYP3A4 (0.33) MAPTALDH1A1ABCB1POLBHPD
SCHEMBL3574966 0.82 ITGA4 (0.35) MAPTALDH1A1POLBCYP3A4ALOX15
SCHEMBL3574028 0.78 ALDH1A1 (0.40) MAPTCA12CA1CA2CA9
SCHEMBL3586516 0.77 ALDH1A1 (0.40) MAPTCA1CA2ALDH1A1CYP3A4
SCHEMBL3569098 0.69 ALDH1A1 (0.39) MAPTALDH1A1ABCB1TDP1LMNA
SCHEMBL28736276 0.66 ALDH1A1 (0.44) MAPTALDH1A1POLBCYP3A4ALOX15
SCHEMBL616603 0.65 GAA (0.63) MAPTALDH1A1CYP3A4ALOX15TDP1
SCHEMBL19699034 0.65 L3MBTL1 (0.53) MAPTALDH1A1TDP1MEN1LMNA

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-9771368-B2 18F-labelled folates Merck & Cie (CH) 2017-09-26 US disclosed
US-20160159802-A1 18F-LABELLED FOLATES Merck & Cie (CH) 2016-06-09 US disclosed
US-9315506-B2 18F-labelled folates Merck & Cie (CH) 2016-04-19 US disclosed
US-20100056533-A1 18F-LABELLED FOLATES MERCK EPROVA AG (CH) 2010-03-04 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-20100056533-A1 18F-LABELLED FOLATES FOLR1, FOLR2, SLC19A1 MAPT 2880/4885CA12 1260/4885CA1 1904/4885
US-20160159802-A1 18F-LABELLED FOLATES FOLR1, FOLR2, SLC19A1 MAPT 2805/4885CA12 1057/4885CA1 1735/4885

“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.