Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3285583

O=C(O)C(F)(F)F.O=C(O)CCCCCCCNc1ncc(-c2ccccc2)c(-c2ccccc2)n1

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.56
SIRT5 Q9NXA8 1/20 0.46
EGFR P00533 1/20 0.43
FGFR1 P11362 1/20 0.43
PTGIR P43119 3/20 0.42
PTGS2 P35354 1/20 0.41
NTRK1 P04629 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
CRHBP P24387 2/20 0.40
CRHR2 Q13324 2/20 0.40

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 SCHEMBL3285320 1.00 ADORA1 (0.56) ADORA1SIRT5EGFRFGFR1PTGIR
Trifluoroacetic Acid SCHEMBL3285581 1.00 ADORA1 (0.56) ADORA1SIRT5EGFRFGFR1PTGIR
Trifluoroacetic Acid SCHEMBL3290829 0.87 ADORA1 (0.50) ADORA1SIRT5EGFRFGFR1PTGS2
Trifluoroacetic Acid SCHEMBL3283875 0.87 ADORA1 (0.50) ADORA1SIRT5PTGS2NTRK1ALDH1A1
SCHEMBL3285587 0.85 ADORA1 (0.53) ADORA1SIRT5EGFRFGFR1PTGS2
SCHEMBL3285586 0.85 ADORA1 (0.53) ADORA1SIRT5EGFRFGFR1PTGS2
SCHEMBL3285324 0.85 ADORA1 (0.53) ADORA1SIRT5EGFRFGFR1PTGS2
SCHEMBL3290831 0.76 ADORA1 (0.47) ADORA1SIRT5PTGS2NTRK1HDAC3
Trifluoroacetic Acid SCHEMBL6496568 0.74 ALDH1A1 (0.44) RXFP1ALDH1A1CDC25ACDC25B
SCHEMBL3286132 0.74 ADORA1 (0.47) ADORA1SIRT5HDAC3HDAC4HDAC1

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-7713988-B2 4,5-diphenyl-pyrimidinylamino substituted carboxylic acids, method for the production and use thereof as medicaments SANOFI-AVENTIS (FR) 2010-05-11 US disclosed
US-20090149487-A1 4,5-DIPHENYL-PYRIMIDINYLAMINO SUBSTITUTED CARBOXYLIC ACIDS, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-06-11 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-20090149487-A1 4,5-DIPHENYL-PYRIMIDINYLAMINO SUBSTITUTED CARBOXYLIC ACIDS, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS GPR119, DPP4, SLC5A1 ADORA1 478/4885SIRT5 1608/4885EGFR 2204/4885

“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.