Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL907665

O=C(CCl)N1CCNCC1.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.43
ALDH1A1 P00352 5/20 0.42
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA2 P00918 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
CHKA P35790 1/20 0.37
HRH4 Q9H3N8 2/20 0.37
TPSAB1 Q15661 1/20 0.36
TPSD1 Q9BZJ3 1/20 0.36
TPSG1 Q9NRR2 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRNB3 Q05901 1/20 0.36
CHRNA6 Q15825 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
SCHEMBL3236363 0.87 ALDH1A1 (0.52) ALDH1A1POLBHTTSMN1; SMN2CA2
Carbamic Acid SCHEMBL6888965 0.83 ALDH1A1 (0.46) ALDH1A1POLBHTTSMN1; SMN2CA2
SCHEMBL2951448 0.79 CA2 (0.50) ALDH1A1POLBHTTSMN1; SMN2CA2
Trifluoroacetic Acid SCHEMBL25195860 0.79 PKM (0.44) PKMCA2CA12CA1CA9
Trifluoroacetic Acid SCHEMBL28163815 0.79 PKM (0.48) PKMPOLBCA2CA12CA1
Trifluoroacetic Acid SCHEMBL28290467 0.78 PKM (0.49) PKMALDH1A1POLBSMN1; SMN2HRH4
Trifluoroacetic Acid SCHEMBL22123169 0.78 PKM (0.43) PKMCA2CA12CA1CA9
Trifluoroacetic Acid SCHEMBL27188793 0.78 PKM (0.43) PKMCA2CA12CA1CA9
Trifluoroacetic Acid SCHEMBL22233151 0.77 PKM (0.47) PKMPOLBCA2CA12CA1
Trifluoroacetic Acid SCHEMBL27952949 0.77 TPSAB1 (0.42) PKMPOLBCA2CA12CA1

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-20110053907-A1 SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2011-03-03 US disclosed
EP-2276750-A2 SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY Auckland Uniservices Limited (NZ) 2011-01-26 EP disclosed
WO-2009120094-A2 SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2009-10-01 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-20110053907-A1 SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY PIK3CA, PIK3R5, PIK3CD PKM 2068/4885ALDH1A1 2617/4885POLB 136/4885

“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.