Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL23217340

COc1ccc(Cl)c(Cl)c1C1CCNC(CN)C1.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 14/20 0.46
HTR2A P28223 12/20 0.46
HTR2B P41595 8/20 0.46
CHRNB2 P17787 2/20 0.34
CHRNA4 P43681 2/20 0.34
CHRNA3 P32297 1/20 0.33
CHRNB3 Q05901 1/20 0.33
CHRNA6 Q15825 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL23216339 0.89 HTR2A (0.56) HTR2CHTR2AHTR2B
SCHEMBL29768478 0.89 HTR2A (0.56) HTR2CHTR2AHTR2B
SCHEMBL29768399 0.83 HTR2A (0.43) HTR2CHTR2AHTR2BCHRNA3
SCHEMBL29887013 0.82 HTR2A (0.45) HTR2CHTR2AHTR2BCHRNA3MAPK1
SCHEMBL23216843 0.82 HTR2A (0.45) HTR2CHTR2AHTR2BCHRNA3MAPK1
SCHEMBL23217382 0.81 HTR2C (0.47) HTR2CHTR2AHTR2BCHRNA3
SCHEMBL23217069 0.81 HTR2C (0.47) HTR2CHTR2AHTR2BCHRNA3
SCHEMBL29844458 0.81 HTR2C (0.47) HTR2CHTR2AHTR2BCHRNA3
SCHEMBL23239723 0.80 HTR2A (0.43) HTR2CHTR2AHTR2BCHRNA3
SCHEMBL23216481 0.80 HTR2A (0.43) HTR2CHTR2AHTR2BCHRNA3

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-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
WO-2021071832-A1 ARYL HETEROBICYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D.E. SHAW RESEARCH, LLC (US) 2021-04-15 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-20230049231-A1 ARYL HETEROBICYCLIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS KCNB1, KCNJ2, KCNB2 HTR2C 1162/4885HTR2A 1799/4885HTR2B 464/4885

“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.