Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL16714355

O=C(N[C@@H]1C[C@H]1c1ccccc1Cl)[C@@H]1C[C@H]2C[C@H]2N1.O=C(O)C(F)(F)F

nearest known ligand 0.38

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 9/20 0.38
TLR2 O60603 2/20 0.38
TLR1 Q15399 2/20 0.38
P2RX7 Q99572 1/20 0.37
LPAR2 Q9HBW0 1/20 0.35
SLC6A3 Q01959 2/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
SLC9A1 P19634 1/20 0.34
CTSC P53634 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
CYP2C19 P33261 1/20 0.33
CNR1 P21554 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL19592102 0.93 CFD (0.41) CFDTLR2TLR1P2RX7LPAR2
Trifluoroacetic Acid SCHEMBL16714405 0.86 SMN1; SMN2 (0.47) TLR2TLR1P2RX7CNR1SMN1; SMN2
SCHEMBL19592035 0.79 SMN1; SMN2 (0.54) TLR2TLR1P2RX7CNR1SMN1; SMN2
SCHEMBL15541004 0.74 PGR (0.48) CFDLPAR2SLC6A3MTNR1AMTNR1B
SCHEMBL29840706 0.74 CTSC (0.42) CFDTLR2TLR1P2RX7LPAR2
SCHEMBL18591163 0.74 CTSC (0.42) CFDTLR2TLR1P2RX7LPAR2
SCHEMBL29840780 0.74 CTSC (0.42) CFDTLR2TLR1P2RX7LPAR2
Hydrochloric Acid SCHEMBL18555057 0.73 CTSC (0.42) CFDTLR2TLR1P2RX7LPAR2
Hydrochloric Acid SCHEMBL29545379 0.73 CTSC (0.42) CFDTLR2TLR1P2RX7LPAR2
Trifluoroacetic Acid SCHEMBL16714366 0.72 CFD (0.40) CFDCTSC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9815819-B2 Complement pathway modulators and uses thereof NOVARTIS AG (CH) 2017-11-14 US disclosed
US-20150141455-A1 COMPLEMENT PATHWAY MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2015-05-21 US 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-20150141455-A1 COMPLEMENT PATHWAY MODULATORS AND USES THEREOF C5, C3AR1, C9 CFD 9/4885TLR2 838/4885TLR1 219/4885

“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.