Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3620057

CN1CCN(C)C(c2cccc3c2ccn3S(=O)(=O)c2ccccc2)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 20/20 0.53
DRD2 P14416 2/20 0.53
HTR1A P08908 1/20 0.53
HTR2A P28223 1/20 0.53
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
DRD3 P35462 2/20 0.43
BCHE P06276 2/20 0.43

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
SCHEMBL3623484 0.92 HTR6 (0.61) HTR6DRD2HTR1AHTR2ACYP3A4
Trifluoroacetic Acid SCHEMBL4021326 0.89 HTR6 (0.43) HTR6DRD2HTR1AHTR2ACYP3A4
Trifluoroacetic Acid SCHEMBL3614531 0.76 HTR6 (0.52) HTR6DRD2HTR1AHTR2ACYP3A4
Trifluoroacetic Acid SCHEMBL3607520 0.74 HTR6 (0.48) HTR6DRD2HTR1AHTR2ADRD3
SCHEMBL7949911 0.74 HTR6 (0.63) HTR6DRD2HTR1AHTR2ACYP3A4
Trifluoroacetic Acid SCHEMBL4020079 0.73 HTR6 (0.55) HTR6DRD2HTR1AHTR2ACYP3A4
Trifluoroacetic Acid SCHEMBL4022092 0.73 HTR6 (0.49) HTR6DRD2HTR1AHTR2ACYP3A4
Trifluoroacetic Acid SCHEMBL1996241 0.72 HTR6 (0.43) HTR6DRD2HTR1AHTR2ACYP3A4
Trifluoroacetic Acid SCHEMBL1996894 0.72 HTR6 (0.43) HTR6DRD2HTR1AHTR2ACYP3A4
Trifluoroacetic Acid SCHEMBL3620317 0.72 HTR6 (0.60) HTR6DRD2HTR1ACYP3A4CYP2D6

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
EP-2046741-B1 INDOLES AS 5-HT6 MODULATORS PROXIMAGEN LTD (GB) 2012-10-31 EP disclosed
US-7812017-B2 4-substituted indole and indoline compounds BIOVITRUM AB (PUBL.) (SE) 2010-10-12 US disclosed
US-20080032968-A1 New compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2008-02-07 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-20080032968-A1 New compounds HTR6, HTR1B, HTR1A HTR6 1/4885DRD2 41/4885HTR1A 3/4885

“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.