Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5076869

COc1ccccc1CC(N)=O.O=C(O)C(F)(F)F

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.53
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
POLB P06746 2/20 0.48
RECQL P46063 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
TDP1 Q9NUW8 5/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MAPK8 P45983 1/20 0.46
MAPT P10636 2/20 0.46
TSHR P16473 1/20 0.46
CHIT1 Q13231 1/20 0.46
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL1010680 0.89 LMNA (0.64) SMN1; SMN2LMNAMEN1KMT2APOLB
SCHEMBL9003104 0.86 SMN1; SMN2 (0.57) SMN1; SMN2LMNAMEN1KMT2APOLB
SCHEMBL9003109 0.86 SMN1; SMN2 (0.57) SMN1; SMN2LMNAMEN1KMT2APOLB
Trifluoroacetic Acid SCHEMBL5076872 0.82 TAAR1 (0.70) TAAR1
SCHEMBL6373517 0.81 NPSR1 (0.51) SMN1; SMN2LMNAMEN1KMT2ATAAR1
Trifluoroacetic Acid SCHEMBL5658221 0.80 KDM4E (0.48) SMN1; SMN2LMNAMEN1KMT2APOLB
Trifluoroacetic Acid SCHEMBL5658268 0.80 CTBP2 (0.49) MEN1KMT2ATAAR1TDP1MAPK8
Trifluoroacetic Acid SCHEMBL4955078 0.78 TAAR1 (0.47) MEN1KMT2APOLBTAAR1L3MBTL1
Trifluoroacetic Acid SCHEMBL5657301 0.78 ALDH1A1 (0.46) LMNAMEN1KMT2ATAAR1RAB9A
SCHEMBL10565876 0.78 GRIN2B (0.48) SMN1; SMN2LMNAL3MBTL1

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 6 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-7309701-B2 Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-12-18 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 SMN1; SMN2 4592/4885LMNA 712/4885MEN1 2389/4885
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 SMN1; SMN2 4592/4885LMNA 712/4885MEN1 2389/4885

“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.