Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4159826

O=C(CCCC(=O)c1ccccc1)N[C@@H](CCCSCC(=O)C(F)(F)F)C(=O)NC1CCN(Cc2ccccc2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.49
SIGMAR1 Q99720 8/20 0.43
ACHE P22303 4/20 0.42
BCHE P06276 3/20 0.42
UBE2M P61081 2/20 0.41
DCUN1D1 Q96GG9 2/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41

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 SCHEMBL4164045 0.90 TSHR (0.44) SIGMAR1UBE2MDCUN1D1TSHR
Trifluoroacetic Acid SCHEMBL4606072 0.90 SIGMAR1 (0.52) SIGMAR1
Trifluoroacetic Acid SCHEMBL4171437 0.84 SIGMAR1 (0.47) SIGMAR1ACHEBCHE
Trifluoroacetic Acid SCHEMBL4161039 0.84 SIGMAR1 (0.57) SIGMAR1
Trifluoroacetic Acid SCHEMBL4154002 0.83 CYP2C19 (0.48) SIGMAR1UBE2MDCUN1D1TSHRKMT2A
Trifluoroacetic Acid SCHEMBL4622701 0.82 CHRM1 (0.46) SIGMAR1UBE2MDCUN1D1
Trifluoroacetic Acid SCHEMBL4150100 0.78 CHRM2 (0.42) SIGMAR1UBE2MDCUN1D1TSHRKMT2A
Trifluoroacetic Acid SCHEMBL4159827 0.77 BCHE (0.42) CCR2ACHEBCHEKMT2A
SCHEMBL4164039 0.76 HDAC1 (0.41) KMT2A
Trifluoroacetic Acid SCHEMBL4164232 0.72 SIGMAR1 (0.43) SIGMAR1

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-20090054448-A1 Amino Acid Derivatives as Histone Deacetylase (HDAC) Inhibitors JONES PHILIP 2009-02-26 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-20090054448-A1 Amino Acid Derivatives as Histone Deacetylase (HDAC) Inhibitors HDAC5, HDAC1, HDAC11 CCR2 3695/4885SIGMAR1 3623/4885ACHE 2183/4885

“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.