Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL29845129

COC(=O)CNC[C@@H]1C[C@H](c2c(OC)ccc(Cl)c2Cl)CCN1C(=O)OC(C)(C)C.O=C(O)C(F)(F)F

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.35
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
MAPT P10636 2/20 0.34
IL1B P01584 2/20 0.34
P2RX7 Q99572 1/20 0.34
PDE4B Q07343 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
GPR35 Q9HC97 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
EPHA2 P29317 2/20 0.32
KDR P35968 2/20 0.32
EPHB4 P54760 2/20 0.32
NQO1 P15559 1/20 0.32
TP53 P04637 2/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL23227263 0.95 HTR2A (0.38) DRD2HTR2AHTR2CHTR2BMAPT
SCHEMBL23227262 0.95 HTR2A (0.38) DRD2HTR2AHTR2CHTR2BMAPT
SCHEMBL29845082 0.95 HTR2A (0.38) DRD2HTR2AHTR2CHTR2BMAPT
Trifluoroacetic Acid SCHEMBL23217047 0.91 DRD2 (0.37) DRD2HTR2AHTR2CHTR2BKMT2A
Trifluoroacetic Acid SCHEMBL23217044 0.91 DRD2 (0.37) DRD2HTR2AHTR2CHTR2BKMT2A
SCHEMBL23227266 0.88 HTR2A (0.39) DRD2HTR2AHTR2CHTR2BMAPT
SCHEMBL25034584 0.86 HTR2A (0.40) DRD2HTR2AHTR2CHTR2BMAPT
SCHEMBL23239721 0.86 HTR2A (0.40) DRD2HTR2AHTR2CHTR2BMAPT
SCHEMBL23216292 0.86 HTR2A (0.40) DRD2HTR2AHTR2CHTR2BMAPT
SCHEMBL29885954 0.86 HTR2A (0.40) DRD2HTR2AHTR2CHTR2BMAPT

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-20230049231-A1 ARYL HETEROBICYCLIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC 2023-02-16 US disclosed
EP-4041405-A1 ARYL HETEROBICYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D.E. Shaw Research, LLC (US) 2022-08-17 EP 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-20230049231-A1 ARYL HETEROBICYCLIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS KCNB1, KCNJ2, KCNB2 DRD2 1975/4885HTR2A 1799/4885HTR2C 1162/4885

“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.