Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3755364

CN(C)C(C)(C(N)=O)c1ccccc1.O=C(O)C(F)(F)F

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
CHRM3 P20309 1/20 0.42
KCNN4 O15554 7/20 0.41
CYP1A2 P05177 2/20 0.40
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 2/20 0.39
PTPN1 P18031 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
CES1 P23141 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL6904216 0.91 MAPT (0.59) MAPTKMT2ACHRM3KCNN4CYP1A2
SCHEMBL2089573 0.80 CYP1A2 (0.50) MAPTKMT2ACHRM3KCNN4CYP1A2
SCHEMBL2089572 0.80 CYP1A2 (0.50) MAPTKMT2ACHRM3KCNN4CYP1A2
SCHEMBL754265 0.80 CYP1A2 (0.50) MAPTKMT2ACHRM3KCNN4CYP1A2
SCHEMBL18901727 0.77 CHRM3 (0.47) MAPTKMT2ACHRM3KCNN4CYP1A2
Trifluoroacetic Acid SCHEMBL3755368 0.77 TAAR1 (0.44) MAPTKMT2AKCNN4CYP1A2NR1H2
SCHEMBL13389065 0.74 CHRM3 (0.48) MAPTKMT2ACHRM3KCNN4CYP1A2
Trifluoroacetic Acid SCHEMBL28429332 0.74 CYP1A2 (0.50) MAPTKMT2AKCNN4CYP1A2PTPN1
SCHEMBL1822224 0.72 MAPT (0.63) MAPTKMT2AKCNN4CYP1A2PTPN1
SCHEMBL17827512 0.72 CES1 (0.50) MAPTKMT2ACHRM3KCNN4CYP1A2

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-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
EP-1476151-B1 1-ARYLSULFONYL-3-SUBSTITUED INDOLE AND INDOLINE DERIVATES USEFUL IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ORGANON NV (NL) 2008-07-16 EP 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
EP-1476151-A1 1-ARYLSULFONYL-3-SUBSTITUED INDOLE AND INDOLINE DERIVATES USEFUL IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS Akzo Nobel N.V. (NL) 2004-11-17 EP disclosed
WO-2003068220-A1 1-ARYLSULFONYL-3-SUBSTITUTED INDOLE AND INDOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS AKZO NOBEL N.V. (NL) 2003-08-21 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 (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 MAPT 68/4885KMT2A 943/4885CHRM3 174/4885

“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.