Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3611486

CC(C)[C@@H](NCCN)C(=O)O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.38
GGT1 P19440 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
CPB2 Q96IY4 2/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP7 P09237 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
MAPK1 P28482 1/20 0.31
PLA2G2A P14555 1/20 0.31
PLA2G5 P39877 1/20 0.31
DPP8 Q6V1X1 2/20 0.31
DPP7 Q9UHL4 2/20 0.31
DPP4 P27487 1/20 0.31
CHRM2 P08172 2/20 0.30
CHRM4 P08173 2/20 0.30
CHRM5 P08912 2/20 0.30

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
SCHEMBL3188611 0.89 GABRR1 (0.46) GABRR1GGT1SMN1; SMN2CPB2NPSR1
SCHEMBL2232653 0.89 GABRR1 (0.46) GABRR1GGT1SMN1; SMN2CPB2NPSR1
SCHEMBL2232656 0.89 GABRR1 (0.46) GABRR1GGT1SMN1; SMN2CPB2NPSR1
SCHEMBL7209148 0.78 SMN1; SMN2 (0.42) GABRR1SMN1; SMN2CPB2NPSR1PLA2G2A
SCHEMBL27698867 0.78 SMN1; SMN2 (0.42) GABRR1SMN1; SMN2CPB2NPSR1PLA2G2A
SCHEMBL9186768 0.77 SMN1; SMN2 (0.41) GABRR1SMN1; SMN2MMP1MMP2MMP3
SCHEMBL4622349 0.77 SMN1; SMN2 (0.46) SMN1; SMN2NPSR1MAPK1PLA2G2APLA2G5
SCHEMBL526345 0.76 GABRR1 (0.45) GABRR1GGT1SMN1; SMN2CPB2
SCHEMBL3470018 0.74 ALDH1A1 (0.52) GABRR1GGT1ALDH1A1
SCHEMBL2153099 0.74 GABRR1 (0.43) GABRR1GGT1SMN1; SMN2CPB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100168075-A1 Novel 2-Azetidinone Derivatives As Cholesterol Absorption Inhibitors For The Treatment Of Hyperlipidaemic Conditions ASTRAZENECA AB (SE) 2010-07-01 US disclosed
EP-1896409-A1 NOVEL 2-AZETIDINONE DERIVATIVES AS CHOLESTEROL ABSORPTION INHIBITORS USEFUL FOR THE TREATMENT OF HYPERLIPIDAEMIC CONDITIONS AstraZeneca AB (SE) 2008-03-12 EP disclosed
WO-2006137795-A1 NOVEL 2-AZETIDINONE DERIVATIVES AS CHOLESTEROL ABSORPTION INHIBITORS USEFUL FOR THE TREATMENT OF HYPERLIPIDAEMIC CONDITIONS ASTRAZENECA AB (SE) 2006-12-28 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-20100168075-A1 Novel 2-Azetidinone Derivatives As Cholesterol Absorption Inhibitors For The Treatment Of Hyperlipidaemic Conditions CYP46A1, NPC1L1, NPC1 GABRR1 4827/4885GGT1 1660/4885SMN1; SMN2 3554/4885

“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.