Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL16616200

O=C(NC1CC2(CNC2)C1)c1ccc2[nH]nnc2c1.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 8/20 0.40
ATXN2 Q99700 8/20 0.40
SMYD3 Q9H7B4 4/20 0.39
GLA P06280 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
EZH2 Q15910 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35

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 SCHEMBL27736713 0.77 SMN1; SMN2 (0.44) MEN1KMT2AHPGD
SCHEMBL15552389 0.72 ENPP2 (0.77) ENPP2ATXN2
SCHEMBL15552924 0.72 ENPP2 (0.77) ENPP2ATXN2
SCHEMBL15552718 0.71 ENPP2 (0.80) ENPP2ATXN2
SCHEMBL18315542 0.71 ENPP2 (0.62) ENPP2ATXN2EZH2
SCHEMBL15584278 0.70 ENPP2 (0.80) ENPP2ATXN2
Trifluoroacetic Acid SCHEMBL16616166 0.70 NAMPT (0.49) ENPP2ATXN2L3MBTL1
SCHEMBL15551709 0.69 ENPP2 (0.78) ENPP2ATXN2
SCHEMBL15553942 0.69 ATXN2 (0.78) ENPP2ATXN2
SCHEMBL13146789 0.69 HPGD (0.46) SMYD3HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10633384-B2 Diazaspirocycloalkane and azaspirocycloalkane HOFFMANN-LA ROCHE INC. (US) 2020-04-28 US disclosed
US-20170029425-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE HOFFMANN-LA ROCHE INC. (US) 2017-02-02 US disclosed
EP-2861566-B1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE HOFFMANN LA ROCHE (CH) 2016-12-21 EP disclosed
US-9493486-B2 Diazaspirocycloalkane and azaspirocycloalkane HOFFMANN-LA ROCHES INC. (US) 2016-11-15 US disclosed
US-20150099734-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE HOFFMANN-LA ROCHE INC. (US) 2015-04-09 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 (3 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-20170029425-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE ENPP2, DAPK1, DAPK2 ENPP2 1/4885ATXN2 280/4885SMYD3 4492/4885
US-10633384-B2 Diazaspirocycloalkane and azaspirocycloalkane ENPP2, DAPK1, DAPK2 ENPP2 1/4885ATXN2 500/4885SMYD3 4530/4885
US-20150099734-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE DAPK2, DAPK1, IDH3A ENPP2 548/4885ATXN2 1079/4885SMYD3 2923/4885

“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.