Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL29472276

COc1ccc(N(C)C(=O)CN)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.46
PPIB P23284 1/20 0.45
LMNA P02545 1/20 0.44
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 1/20 0.41
HSP90AA1 P07900 1/20 0.41
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 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
SCHEMBL17336430 0.89 PPIB (0.52) PPIBLMNAALDH1A1HTTSMN1; SMN2
Trifluoroacetic Acid SCHEMBL18614060 0.85 CYP1A2 (0.42) MLYCDALDH1A1SMN1; SMN2MAPK1
Trifluoroacetic Acid SCHEMBL29472308 0.84 POLQ (0.48) MLYCDLMNA
Trifluoroacetic Acid SCHEMBL29472278 0.83 POLQ (0.54) MLYCDALDH1A1
SCHEMBL22312030 0.81 POLB (0.43) MLYCDLMNA
Trifluoroacetic Acid SCHEMBL17336564 0.80 PPIB (0.49) MLYCDPPIBLMNAALDH1A1HTT
Trifluoroacetic Acid SCHEMBL4705712 0.79 POLQ (0.49) MLYCDALDH1A1
Hydrochloric Acid SCHEMBL29472259 0.79 POLB (0.43) MLYCDLMNA
SCHEMBL9155738 0.77 LMNA (0.46) PPIBLMNA
SCHEMBL29694171 0.77 HSP90AA1 (0.48) ALDH1A1HTTSMN1; SMN2HSP90AA1PDK1

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-20220098154-A1 ACETAMIDO DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. 2022-03-31 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-20220098154-A1 ACETAMIDO DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS POLQ, POLH, POLB MLYCD 1156/4885PPIB 3173/4885LMNA 2886/4885

“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.