Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL21293945

CC(=O)NC(CCCCNC(=O)O)C(=O)NCCN.O=C(O)C(F)(F)F

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.60
▸ SIRT1 Q96EB6 1/20 0.60
▸ NPY1R P25929 4/20 0.44
▸ CA1 P00915 4/20 0.43
▸ CA2 P00918 4/20 0.43
▸ SIRT5 Q9NXA8 2/20 0.43
▸ GRIA1 P42261 1/20 0.43
▸ TLR2 O60603 3/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CHRM2 P08172 2/20 0.38
▸ CHRM4 P08173 2/20 0.38
▸ CHRM5 P08912 2/20 0.38
▸ CHRM1 P11229 2/20 0.38
▸ CHRM3 P20309 2/20 0.38
▸ PTPN2 P17706 1/20 0.38
▸ PTPN1 P18031 1/20 0.38

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 SCHEMBL18340778 1.00 SIRT6 (0.60) SIRT6SIRT1NPY1RCA1CA2
SCHEMBL19681219 0.84 SIRT6 (0.72) SIRT6SIRT1CA1CA2SIRT5
SCHEMBL21293944 0.82 SIRT1 (0.56) SIRT6SIRT1NPY1RCA1CA2
SCHEMBL21309617 0.79 SIRT6 (0.69) SIRT6SIRT1CA1CA2SIRT5
SCHEMBL19384798 0.78 CA1 (0.63) SIRT6SIRT1CA1CA2GRIA1
SCHEMBL19401687 0.78 CA1 (0.63) SIRT6SIRT1CA1CA2GRIA1
SCHEMBL21167105 0.77 SIRT6 (0.62) SIRT6SIRT1NPY1RCA1CA2
Trifluoroacetic Acid SCHEMBL30587887 0.76 TLR2 (0.53) SIRT6SIRT1NPY1RCA1CA2
SCHEMBL23610946 0.74 SIRT1 (0.57) SIRT6SIRT1CA1CA2TLR2
SCHEMBL15359505 0.74 SIRT6 (0.54) SIRT6SIRT1CA1CA2SIRT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190262463-A1 SITE SPECIFIC HOMOGENEOUS WITH KSP INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-08-29 — — 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-20190262463-A1 SITE SPECIFIC HOMOGENEOUS WITH KSP INHIBITORS KIF5B, KIF15, KIF2C SIRT6 2866/4885SIRT1 3442/4885NPY1R 4782/4885

“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.

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