Sugi Predict

Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL21994719

N[C@@H](CCCN1CCCC1)C(=O)O.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
▸ CYP1A2 P05177 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ GSR P00390 1/20 0.42
▸ DPP7 Q9UHL4 1/20 0.40
▸ ARG1 P05089 8/20 0.39
▸ CHRM2 P08172 2/20 0.39
▸ CHRM4 P08173 2/20 0.39
▸ CHRM5 P08912 2/20 0.39
▸ CHRM1 P11229 2/20 0.39
▸ CHRM3 P20309 2/20 0.39
▸ ARG2 P78540 7/20 0.39
▸ DPP4 P27487 2/20 0.38
▸ DPP8 Q6V1X1 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ NOS2 P35228 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 SCHEMBL21994721 1.00 CYP1A2 (0.43) CYP1A2MAPK1SMN1; SMN2GSRDPP7
Trifluoroacetic Acid SCHEMBL6429122 0.98 CYP1A2 (0.46) CYP1A2MAPK1SMN1; SMN2GSRDPP7
Trifluoroacetic Acid SCHEMBL31329672 0.90 DPP7 (0.42) CYP1A2MAPK1SMN1; SMN2GSRDPP7
SCHEMBL25660549 0.90 CYP1A2 (0.52) CYP1A2MAPK1SMN1; SMN2GSRDPP7
SCHEMBL23099381 0.88 CYP1A2 (0.55) CYP1A2MAPK1SMN1; SMN2GSRDPP7
SCHEMBL266522 0.88 CYP1A2 (0.55) CYP1A2MAPK1SMN1; SMN2GSRDPP7
SCHEMBL7166332 0.88 CYP1A2 (0.55) CYP1A2MAPK1SMN1; SMN2GSRDPP7
Trifluoroacetic Acid SCHEMBL27041458 0.88 GAA (0.47) SMN1; SMN2GSRARG1ARG2DPP4
SCHEMBL26792957 0.84 GSR (0.53) CYP1A2MAPK1SMN1; SMN2GSRDPP7
Trifluoroacetic Acid SCHEMBL4903506 0.84 CYP1A2 (0.40) CYP1A2MAPK1SMN1; SMN2ARG1CHRM2

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-20230089867-A1 CYCLIC PENTAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDER NOVARTIS AG (CH) 2023-03-23 — — US disclosed
EP-3887363-A1 CYCLIC PENTAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDER Novartis AG (CH) 2021-10-06 — — EP disclosed
WO-2020110008-A1 CYCLIC PENTAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDER NOVARTIS AG (CH) 2020-06-04 — — 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-20230089867-A1 CYCLIC PENTAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDER PCSK9, PCSK7, PCSK6 CYP1A2 2071/4885MAPK1 2065/4885SMN1; SMN2 2146/4885

“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.