Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL17537010

NCc1c(Br)c(=O)c(OCc2ccccc2)c2n1CCN(Cc1ccc(F)c(Cl)c1)C2=O.O=C(O)C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.36
CLPP Q16740 3/20 0.36
KCNH2 Q12809 2/20 0.36
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
DRD4 P21917 1/20 0.33
HRH2 P25021 3/20 0.33
GRM2 Q14416 3/20 0.33
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
ALOX5AP P20292 1/20 0.32
GPR6 P46095 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
SCHEMBL16185235 0.94 KCNH2 (0.39) SCDCLPPKCNH2LMNASMN1; SMN2
SCHEMBL16185202 0.90 SCD (0.39) SCDCLPPKCNH2LMNASMN1; SMN2
Trifluoroacetic Acid SCHEMBL17537009 0.86 SCD (0.34) SCDCLPPKCNH2LMNASMN1; SMN2
SCHEMBL16180509 0.85 SCD (0.39) SCDCLPPKCNH2LMNASMN1; SMN2
SCHEMBL17537013 0.84 SCD (0.35) SCDCLPPKCNH2LMNASMN1; SMN2
SCHEMBL16185297 0.84 SCD (0.39) SCDCLPPKCNH2LMNASMN1; SMN2
SCHEMBL16185240 0.83 SCD (0.37) SCDCLPPKCNH2LMNASMN1; SMN2
SCHEMBL16180602 0.82 KCNH2 (0.36) SCDCLPPKCNH2LMNASMN1; SMN2
SCHEMBL16180644 0.82 KCNH2 (0.39) SCDCLPPKCNH2LMNASMN1; SMN2
SCHEMBL16185301 0.81 SCD (0.39) SCDCLPPKCNH2LMNASMN1; SMN2

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-2986291-B1 4-PYRIDONE DERIVATIVE COMPOUNDS AND USES THEREOF AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME (US) 2020-05-27 EP disclosed
US-9493479-B2 Substituted pyrido[1,2-a]pyrazines as HIV integrase inhibitors MERCK SHARP & DOHME CORP. (US) 2016-11-15 US disclosed
US-20160060272-A1 4-PYRIDONE DERIVATIVE COMPOUNDS AND USES THEREOF AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-03-03 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-20160060272-A1 4-PYRIDONE DERIVATIVE COMPOUNDS AND USES THEREOF AS HIV INTEGRASE INHIBITORS PNPO, TYMP, PDXK SCD 2858/4885CLPP 2603/4885KCNH2 2585/4885

“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.