Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3754919

COc1ccc(C(CN)N(C)C)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 3/20 0.48
OPRM1 P35372 7/20 0.47
OPRD1 P41143 7/20 0.47
ATM Q13315 1/20 0.47
MEN1 O00255 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
DPP4 P27487 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
AOC3 Q16853 1/20 0.42
LDHA P00338 1/20 0.42

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
SCHEMBL11928258 0.85 AOC3 (0.50) ALDH1A1KMT2AOPRM1OPRD1ATM
Trifluoroacetic Acid SCHEMBL31347521 0.81 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1GAATDP1
Trifluoroacetic Acid SCHEMBL3754914 0.79 DPP4 (0.44) OPRM1OPRD1ATMDPP4DPP7
SCHEMBL3754916 0.77 ALDH1A1 (0.64) ALDH1A1KMT2AOPRM1OPRD1ATM
SCHEMBL12861292 0.74 ALDH1A1 (0.57) ALDH1A1KMT2AOPRM1OPRD1ATM
Trifluoroacetic Acid SCHEMBL6220574 0.74 LDHA (0.54) SLC6A4LDHA
Trifluoroacetic Acid SCHEMBL6317983 0.74 LDHA (0.54) SLC6A4LDHA
Trifluoroacetic Acid SCHEMBL29472276 0.73 MLYCD (0.46) ALDH1A1
Trifluoroacetic Acid SCHEMBL2422885 0.72 DPP4 (0.48) KMT2AMEN1DPP4DPP7LDHA
Trifluoroacetic Acid SCHEMBL1842699 0.72 TDP1 (0.61) ALDH1A1TDP1LDHA

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-7838518-B2 1-arylsulfonyl-3-substituted indole and indoline derivatives useful in the treatment of central nervous system disorders N.V. ORGANON (NL) 2010-11-23 US disclosed
US-20050154023-A1 1-arylsulfonyl-3-substituted indole and indoline derivatives useful in the treatment of central nervous system disorders MERCK SHARP & DOHME B.V. (NL) 2005-07-14 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-20050154023-A1 1-arylsulfonyl-3-substituted indole and indoline derivatives useful in the treatment of central nervous system disorders TPH1, HTR1A, HTR1D ALDH1A1 1048/4885KMT2A 943/4885OPRM1 271/4885

“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.