Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3543648

Cn1cnc2c(N)nc3cc(-c4ccccc4)sc3c21.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 2/20 0.43
IKBKB O14920 8/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.42
CHUK O15111 2/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
PDE7A Q13946 1/20 0.36
STK17B O94768 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36

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 SCHEMBL3551451 0.92 TLR7 (0.47) TLR7IKBKBNPC1RAB9ASMN1; SMN2
SCHEMBL3545657 0.90 TLR7 (0.49) TLR7IKBKBNPC1RAB9ASMN1; SMN2
SCHEMBL3544776 0.85 IKBKB (0.47) TLR7IKBKBNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL3546341 0.84 IKBKB (0.46) TLR7IKBKBNPC1RAB9ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL3541768 0.84 IKBKB (0.49) IKBKBCHUKPDE7A
SCHEMBL3548637 0.81 TLR7 (0.51) TLR7IKBKBNPC1RAB9ASMN1; SMN2
SCHEMBL3543166 0.81 IKBKB (0.55) TLR7IKBKBCHUK
SCHEMBL3548558 0.80 IKBKB (0.46) TLR7IKBKBCHUKMEN1KMT2A
SCHEMBL3544016 0.80 IKBKB (0.46) TLR7IKBKBCHUK
SCHEMBL3543608 0.79 IKBKB (0.45) TLR7IKBKBCHUK

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-7683171-B2 N,1-Dimethyl-7-phenyl-1H-imidazo[4,5-d]thieno[3,2-b]pyridin-4-amine; treating inflammatory and immune diseases; cancer; I kappa B kinase (IKK) inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-23 US disclosed
US-20060178393-A1 1H-imidazo[4,5-d]thieno[3,2-b]pyridine based tricyclic compounds and pharmaceutical compositions comprising same BRISTOL-MYERS SQUIBB COMPANY 2006-08-10 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-20060178393-A1 1H-imidazo[4,5-d]thieno[3,2-b]pyridine based tricyclic compounds and pharmaceutical compositions comprising same IL4, IL5, IRAK4 TLR7 16/4885IKBKB 237/4885NPC1 1874/4885

“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.