Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3972256

NCCCCCCN(Cc1ccccn1)Cc1ccccn1.O=C([O-])C(F)(F)F.O=C=[Re+](=C=O)=C=O

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 4/20 0.44
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LIN28A Q9H9Z2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
HRH1 P35367 1/20 0.40
HDAC1 Q13547 3/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
Trifluoroacetic Acid SCHEMBL3410185 0.89 CXCR4 (0.47) CXCR4MAPTSMN1; SMN2LIN28ATDP1
Bromide SCHEMBL3406291 0.88 MAPT (0.53) CXCR4MAPTSMN1; SMN2LIN28ATDP1
SCHEMBL2831556 0.79 MAPT (0.68) CXCR4MAPTSMN1; SMN2LIN28ATDP1
SCHEMBL13764390 0.79 MAPT (0.68) CXCR4MAPTSMN1; SMN2LIN28ATDP1
SCHEMBL10261442 0.78 MAPT (0.70) CXCR4MAPTSMN1; SMN2LIN28ATDP1
SCHEMBL2474794 0.75 CXCR4 (0.50) CXCR4MAPTSMN1; SMN2LIN28ATDP1
SCHEMBL4094117 0.75 CXCR4 (0.50) CXCR4MAPTSMN1; SMN2LIN28ATDP1
SCHEMBL8527380 0.74 MAPT (0.72) CXCR4MAPTSMN1; SMN2LIN28ATDP1
SCHEMBL29444010 0.74 MAPT (0.67) CXCR4MAPTSMN1; SMN2LIN28ATDP1
Bromide SCHEMBL3972235 0.72 CYP3A4 (0.41) CXCR4MAPTSMN1; SMN2LIN28ATDP1

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-2823826-A2 Inhibitors of carbonic anhydrase IX Molecular Insight Pharmaceuticals, Inc. (US) 2015-01-14 EP disclosed
US-8877970-B2 Inhibitors of carbonic anhydrase IX MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2014-11-04 US disclosed
US-20090175794-A1 INHIBITORS OF CARBONIC ANHYDRASE IX MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2009-07-09 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-20090175794-A1 INHIBITORS OF CARBONIC ANHYDRASE IX CA9, CA12, CA1 CXCR4 1968/4885MAPT 3380/4885SMN1; SMN2 3298/4885

“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.