Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5073548

O=C(O)C(F)(F)F.O=CNCCc1cccc(Cl)c1

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
TAAR1 Q96RJ0 3/20 0.54
SMN1; SMN2 Q16637 4/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
HPGD P15428 1/20 0.53
PLAAT3 P53816 2/20 0.50
PLAAT5 Q96KN8 2/20 0.50
PLAAT2 Q9NWW9 2/20 0.50
PLAAT4 Q9UL19 2/20 0.50
TRPV1 Q8NER1 1/20 0.50
HDAC1 Q13547 1/20 0.48
CNR1 P21554 1/20 0.48
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
THRB P10828 1/20 0.46
GLA P06280 1/20 0.46
AKR1C3 P42330 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL2473716 0.87 TAAR1 (0.62) ALDH1A1TAAR1SMN1; SMN2KMT2AMEN1
Trifluoroacetic Acid SCHEMBL5073553 0.84 TAAR1 (0.71) ALDH1A1TAAR1SMN1; SMN2KMT2AMEN1
Trifluoroacetic Acid SCHEMBL5071471 0.84 LMNA (0.58) ALDH1A1TAAR1SMN1; SMN2KMT2AMEN1
Trifluoroacetic Acid SCHEMBL5073629 0.82 KDM4E (0.58) ALDH1A1KMT2AMEN1NPC1AKR1C3
Trifluoroacetic Acid SCHEMBL6379102 0.80 TAAR1 (0.69) ALDH1A1TAAR1SMN1; SMN2KMT2AMEN1
SCHEMBL6379101 0.78 ALDH1A1 (0.61) ALDH1A1TAAR1SMN1; SMN2KMT2AMEN1
Trifluoroacetic Acid SCHEMBL5073688 0.76 HIF1A (0.48) ALDH1A1TAAR1SMN1; SMN2KMT2AMEN1
SCHEMBL31370008 0.75 ALDH1A1 (0.67) ALDH1A1TAAR1SMN1; SMN2KMT2AMEN1
SCHEMBL5543041 0.75 TAAR1 (0.56) TAAR1KMT2AMEN1HDAC1CNR1
SCHEMBL14049888 0.75 FOLH1 (0.53) AKR1C3

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-20080312242-A1 7-ARYL-3, 9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS, LTD. (CH) 2008-12-18 US disclosed
US-7427613-B2 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension, cardiovascular or renal diseases ACTELION PHARMACEUTICALS LTD. (CH) 2008-09-23 US disclosed
US-20050176700-A1 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension,cardiovascular or renal diseases ACTELION PHARMACEUTICALS LTD. (CH) 2005-08-11 US disclosed
EP-1501830-A1 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES Actelion Pharmaceuticals Ltd. (CH) 2005-02-02 EP disclosed
WO-2003093267-A1 7-ARYL-3,9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2003-11-13 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 (2 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-20050176700-A1 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension,cardiovascular or renal diseases REN, AGTR1, ACE ALDH1A1 391/4885TAAR1 1785/4885SMN1; SMN2 4592/4885
US-20080312242-A1 7-ARYL-3, 9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES REN, AGTR1, ACE ALDH1A1 391/4885TAAR1 1785/4885SMN1; SMN2 4592/4885

“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.