Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL22284336

CN(C)C(=O)c1ccc(OCCCC2CCNCC2)nc1Cl.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.39
ITGA2B P08514 13/20 0.39
AVPR2 P30518 2/20 0.36
AVPR1A P37288 2/20 0.36
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
CHRNB3 Q05901 1/20 0.35
CHRNA6 Q15825 1/20 0.35
PDK1 Q15118 1/20 0.35
ITGAV P06756 2/20 0.34
CHEK1 O14757 1/20 0.34
CHRM2 P08172 1/20 0.34
SLC6A4 P31645 1/20 0.34

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
SCHEMBL22284325 0.94 ITGB3 (0.39) ITGB3ITGA2BAVPR2AVPR1APDK1
SCHEMBL20068598 0.91 ITGB3 (0.43) ITGB3ITGA2BAVPR2AVPR1APDK1
SCHEMBL25547356 0.78 GPR119 (0.33)
Hydrochloric Acid SCHEMBL22284403 0.77 GPR119 (0.32)
SCHEMBL20060839 0.76 NR1H2 (0.55) CHRM2
SCHEMBL20068558 0.76 NR1H2 (0.55) CHRM2
SCHEMBL20060863 0.75 FFAR4 (0.38)
SCHEMBL22284213 0.75 FAAH (0.49)
SCHEMBL20060840 0.75 GPR119 (0.39) ITGB3ITGA2B
SCHEMBL22311048 0.75 GPR119 (0.39) ITGB3ITGA2B

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
EP-3526196-B1 ARYL AND HETEROARYL ETHER DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS MERCK SHARP & DOHME LLC (US) 2026-03-18 EP disclosed
US-11655216-B2 Aryl and heteroaryl ether derivatives as liver X receptor beta agonists, compositions, and their use MERCK SHARP & DOHME LLC (US) 2023-05-23 US disclosed
US-20200247754-A1 ARYL AND HETEROARYL ETHER DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2020-08-06 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 (2 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-20200247754-A1 ARYL AND HETEROARYL ETHER DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS, COMPOSITIONS, AND THEIR USE NR1H2, NR1H3, NR1H4 ITGB3 1968/4885ITGA2B 2498/4885AVPR2 2132/4885
US-11655216-B2 Aryl and heteroaryl ether derivatives as liver X receptor beta agonists, compositions, and their use NR1H2, NR1H3, NR1H4 ITGB3 1968/4885ITGA2B 2498/4885AVPR2 2132/4885

“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.