Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1928035

Brc1ccc(OC2CCNCC2)nc1.O=C(O)C(F)(F)F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.47
TDO2 P48775 1/20 0.45
SLC6A4 P31645 1/20 0.41
PAICS P22234 1/20 0.40
TIPARP Q7Z3E1 2/20 0.38
FGFR3 P22607 1/20 0.38
KDR P35968 1/20 0.38
HRH1 P35367 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
NEK2 P51955 1/20 0.37
EPHX2 P34913 1/20 0.36
AR P10275 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 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
SCHEMBL3126334 0.87 TDO2 (0.48) DGAT1TDO2SLC6A4PAICSHRH1
Trifluoroacetic Acid SCHEMBL943761 0.86 TDO2 (0.46) DGAT1TDO2PAICSTIPARPFGFR3
Hydrochloric Acid SCHEMBL941675 0.85 TDO2 (0.47) DGAT1TDO2SLC6A4PAICSHRH1
Trifluoroacetic Acid SCHEMBL28530864 0.84 TDO2 (0.44) TDO2PAICSTIPARPHRH1LIPG
SCHEMBL4828298 0.78 CHRNB2 (0.47) DGAT1TDO2
Trifluoroacetic Acid SCHEMBL26620566 0.78 LIPG (0.49) DGAT1PAICSLIPGEPHX2
SCHEMBL943763 0.78 TDO2 (0.45) DGAT1TDO2PAICSTIPARPHRH1
SCHEMBL27098546 0.76 TDO2 (0.40) DGAT1TDO2SLC6A4PAICSHRH1
SCHEMBL25196581 0.76 DGAT1 (0.50) DGAT1
SCHEMBL1588861 0.76 DGAT1 (0.50) DGAT1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152234-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-06-23 US disclosed
US-7956084-B2 Phenyl thiophene carboxamide compounds as inhibitors of the enzyme IKK-2 ASTRAZENECA AB (SE) 2011-06-07 US disclosed
EP-1421074-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2010-09-29 EP disclosed
US-20070015819-A1 Novel compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2007-01-18 US disclosed
US-7125896-B2 Thiophene carboxamide compounds as inhibitors of enzyme IKK-2 ASTRAZENECA AB (SE) 2006-10-24 US disclosed
US-20040242573-A1 Novel compounds ASTRAZENECA AB (SE) 2004-12-02 US disclosed
EP-1421074-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2004-05-26 EP disclosed
WO-2003010158-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2003-02-06 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 (3 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-20070015819-A1 Novel compounds CNR1, ABCG2, CNR2 DGAT1 3643/4885TDO2 1813/4885SLC6A4 2060/4885
US-20040242573-A1 Novel compounds SULT1E1, TPMT, UGT1A1 DGAT1 3279/4885TDO2 1555/4885SLC6A4 2692/4885
US-20110152234-A1 Novel Compounds CNR1, ABCG2, CNR2 DGAT1 3643/4885TDO2 1813/4885SLC6A4 2060/4885

“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.