Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3749229

NCCCN1CCOCC1.O=C(O)C(F)(F)F

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.67
KEAP1 Q14145 1/20 0.67
GLA P06280 1/20 0.47
GAA P10253 1/20 0.46
ARG1 P05089 1/20 0.46
ARG2 P78540 1/20 0.46
KDM4E B2RXH2 3/20 0.45
LMNA P02545 2/20 0.45
KCNJ1 P48048 1/20 0.43
CACNA1B Q00975 2/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PAOX Q6QHF9 1/20 0.40
HPGD P15428 1/20 0.40
DUSP3 P51452 1/20 0.40

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 SCHEMBL3750654 0.90 SMN1; SMN2 (0.50) SMN1; SMN2KEAP1GLAGAAARG1
Trifluoroacetic Acid SCHEMBL27041458 0.83 GAA (0.47) SMN1; SMN2KEAP1GLAGAAARG1
SCHEMBL19922 0.82 KEAP1 (1.00) SMN1; SMN2KEAP1GLAGAAKDM4E
Trifluoroacetic Acid SCHEMBL4753973 0.81 GAA (0.56) SMN1; SMN2GAAKDM4ELMNAALDH1A1
Trifluoroacetic Acid SCHEMBL3522567 0.81 CPB2 (0.47) PAOX
Trifluoroacetic Acid SCHEMBL31326516 0.81 GLA (0.57) SMN1; SMN2KEAP1GLAGAAARG1
Trifluoroacetic Acid SCHEMBL3749224 0.80 GLA (0.56) SMN1; SMN2GLAGAAARG1ARG2
Hydrochloric Acid SCHEMBL11880824 0.80 KEAP1 (0.95) SMN1; SMN2KEAP1GLAGAAKDM4E
Hydrochloric Acid SCHEMBL8934456 0.80 KEAP1 (0.95) SMN1; SMN2KEAP1GLAGAAKDM4E
Ammonia Solution, Strong SCHEMBL1579906 0.80 KEAP1 (0.95) SMN1; SMN2KEAP1GLAGAAKDM4E

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 SMN1; SMN2 118/4885KEAP1 541/4885GLA 2757/4885

“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.