Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3174992

C[C@@H]1CN(Cc2nc(-c3cn(CC4CCOCC4)c4c(Cl)cccc34)no2)CCN1CC(N)=O.O=C(O)C(F)(F)F

nearest known ligand 0.74

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 20/20 0.74
CNR2 P34972 4/20 0.74
KCNH2 Q12809 2/20 0.74

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 SCHEMBL3179268 1.00 CNR1 (0.74) CNR1CNR2KCNH2
Trifluoroacetic Acid SCHEMBL3184946 0.92 CNR1 (0.69) CNR1CNR2KCNH2
Trifluoroacetic Acid SCHEMBL3184942 0.92 CNR1 (0.69) CNR1CNR2KCNH2
Trifluoroacetic Acid SCHEMBL3180440 0.92 CNR1 (0.72) CNR1CNR2KCNH2
SCHEMBL3175864 0.90 CNR1 (0.81) CNR1CNR2KCNH2
SCHEMBL14775580 0.90 CNR1 (0.81) CNR1CNR2KCNH2
SCHEMBL3174703 0.90 CNR1 (0.81) CNR1CNR2KCNH2
SCHEMBL3187882 0.86 CNR1 (0.76) CNR1CNR2KCNH2
SCHEMBL3187678 0.86 CNR1 (1.00) CNR1CNR2KCNH2
SCHEMBL3188830 0.85 CNR1 (0.80) CNR1CNR2KCNH2

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-2125795-B1 INDOLE DERIVATIVES MSD OSS BV (NL) 2013-03-20 EP disclosed
US-7655645-B2 Analgesics; neuropathic pain, cancer pain, multiple sclerosis N.V. ORGANON (NL) 2010-02-02 US disclosed
US-20080207598-A1 INDOLE DERIVATIVES N.V. ORGANON (NL) 2008-08-28 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-20080207598-A1 INDOLE DERIVATIVES CNR1, CNR2, OPRD1 CNR1 1/4885CNR2 2/4885KCNH2 293/4885

“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.