Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1907045

COC(=O)C(CCCCN)NC(=O)COCCOCCOCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc([N+](=O)[O-])n[nH]3)n[nH]2)n[nH]1.O=C(O)C(F)(F)F

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SSTR3 P32745 1/20 0.34
▸ CA2 P00918 2/20 0.32
▸ CA12 O43570 2/20 0.32
▸ CA1 P00915 2/20 0.32
▸ CA9 Q16790 2/20 0.32
▸ NPY1R P25929 3/20 0.31
▸ NPY4R P50391 1/20 0.31
▸ LNPEP Q9UIQ6 5/20 0.30
▸ GALR1 P47211 1/20 0.30
▸ MME P08473 1/20 0.30
▸ ERAP2 Q6P179 3/20 0.30
▸ PRSS1 P07477 1/20 0.30
▸ PRSS2 P07478 1/20 0.30
▸ PRSS3 P35030 1/20 0.30
▸ TPSAB1 Q15661 1/20 0.30
▸ ERAP1 Q9NZ08 1/20 0.30

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
SCHEMBL15095587 0.78 CHRNA1 (0.34) CA2CA1
SCHEMBL1907701 0.77 SMN1; SMN2 (0.36) —
SCHEMBL13387504 0.75 GPR84 (0.37) —
SCHEMBL13387526 0.75 MAPT (0.35) MME
SCHEMBL1907047 0.72 — —
SCHEMBL1906671 0.68 HDAC3 (0.38) CA2CA1
SCHEMBL13553377 0.67 ERAP2 (0.37) LNPEPERAP2ERAP1
SCHEMBL16453450 0.64 GLP1R (0.39) LNPEPERAP2ERAP1
SCHEMBL3485131 0.63 GLP1R (0.45) CA2CA1LNPEPERAP2ERAP1
SCHEMBL3485126 0.63 GLP1R (0.45) CA2CA1LNPEPERAP2ERAP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481494-B2 Compounds for the treatment of diseases related to protein misfolding UNIVERSITAT DUISBURG-ESSEN (DE) 2013-07-09 — — US disclosed
US-20120270795-A1 COMPOUNDS FOR THE TREATMENT OF DISEASES RELATED TO PROTEIN MISFOLDING UNIVERSITAT DUISBURG-ESSEN (DE) 2012-10-25 — — US disclosed
EP-2493859-A1 NEW COMPOUNDS FOR THE TREATMENT OF DISEASES RELATED TO PROTEIN MISFOLDING Universität Duisburg-Essen (DE) 2012-09-05 — — EP disclosed
WO-2011050864-A1 NEW COMPOUNDS FOR THE TREATMENT OF DISEASES RELATED TO PROTEIN MISFOLDING Universität Duisburg-Essen (DE) 2011-05-05 — — 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-20120270795-A1 COMPOUNDS FOR THE TREATMENT OF DISEASES RELATED TO PROTEIN MISFOLDING APP, PRNP, PSEN1 SSTR3 3071/4885CA2 3346/4885CA12 4366/4885

“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.

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