Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL616099

NC(=O)c1ccccc1C1CCCCC1.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
PTGDR2 Q9Y5Y4 2/20 0.43
TP53 P04637 1/20 0.42
ADRA1A P35348 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
CAMKK2 Q96RR4 3/20 0.40
RBP4 P02753 2/20 0.39
NPC1 O15118 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
PTPN5 P54829 2/20 0.38
PTPN2 P17706 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CYP2D6 P10635 3/20 0.37
PARP1 P09874 3/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 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
SCHEMBL307050 0.89 KDM4E (0.53) KDM4EMEN1MAPTKMT2APTGDR2
Hydrochloric Acid SCHEMBL15954729 0.88 KDM4E (0.51) KDM4EMEN1MAPTKMT2APTGDR2
Hydrochloric Acid SCHEMBL6928280 0.88 KDM4E (0.51) KDM4EMEN1MAPTKMT2APTGDR2
SCHEMBL161226 0.87 KDM4E (0.50) KDM4EMEN1MAPTKMT2APTGDR2
SCHEMBL3376199 0.84 ADRA1A (0.49) KDM4EMEN1MAPTKMT2APTGDR2
Trifluoroacetic Acid SCHEMBL3954282 0.83 HDAC3 (0.44) KDM4EMEN1KMT2APTGDR2RBP4
Trifluoroacetic Acid SCHEMBL5189043 0.82 PTGDR2 (0.46) PTGDR2RBP4HDAC3HDAC1PTPN5
SCHEMBL161548 0.81 ADRA1A (0.51) KDM4EMEN1MAPTKMT2ATP53
SCHEMBL28212021 0.81 ADRA1A (0.51) KDM4EMEN1MAPTKMT2ATP53
SCHEMBL6383642 0.81 ADRA1A (0.51) KDM4EMEN1MAPTKMT2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040972-A1 DUAL MODULATORS OF 5HT2A AND D3 RECEPTORS GOBBI LUCA (CH) 2012-02-16 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 (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-20120040972-A1 DUAL MODULATORS OF 5HT2A AND D3 RECEPTORS HTR2A, HTR3A, HTR1A KDM4E 2551/4885MEN1 3327/4885MAPT 508/4885

“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.