Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2107014

NNC(=S)c1ccc(F)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 1/20 0.46
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
IDO1 P14902 1/20 0.41
BCL2L1 Q07817 1/20 0.40
BAD Q92934 1/20 0.40
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
RAB9A P51151 1/20 0.38
MITF O75030 1/20 0.38
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
MEN1 O00255 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
SCHEMBL1753793 0.85 IDO1 (0.52) CES2CES1IDO1CA1CA2
Hydrochloric Acid SCHEMBL2108579 0.83 IDO1 (0.50) CES2CES1IDO1CA1CA2
Trifluoroacetic Acid SCHEMBL27664698 0.82 PLOD2 (0.53) PLOD2CA1CA2RAB9AMITF
Tert-Butyl Formate SCHEMBL27664695 0.74 TDP1 (0.39) CES2CES1IDO1RAB9AALDH1A1
Trifluoroacetic Acid SCHEMBL5147753 0.73 ALDH1A1 (0.47) CES2CES1RAB9AALDH1A1LMNA
SCHEMBL9749414 0.72 CES2 (0.48) CES2CES1IDO1RAB9AALDH1A1
Trifluoroacetic Acid SCHEMBL30664883 0.71 HDAC2 (0.52) PLOD2CA2RAB9AMITFMEN1
Trifluoroacetic Acid SCHEMBL29626987 0.71 MAPT (0.62) PLOD2CA1CA2RAB9AALDH1A1
Trifluoroacetic Acid SCHEMBL6164837 0.71 ALDH1A1 (0.49) CA1CA2RAB9AALDH1A1LMNA
Trifluoroacetic Acid SCHEMBL3488728 0.70 HTT (0.47) PLOD2IDO1CA1CA2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130345220-A1 COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS IRM LLC (BM) 2013-12-26 US disclosed
US-8569345-B2 Compounds and compositions as LXR modulators MOLTENI VALENTINA (US) 2013-10-29 US disclosed
US-20120214812-A1 COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS IRM LLC (BM) 2012-08-23 US disclosed
US-8158662-B2 Compounds and compositions as LXR modulators HAMILTON (BM) 2012-04-17 US disclosed
CN-1918155-B Compounds and compositions as LXR modulators IRM LLC 2010-05-26 CN disclosed
US-20090325981-A1 Compounds and compositions as lxr modulators IRM LLC (BM) 2009-12-31 US disclosed
CN-1918155-A Compounds and compositions as lxr modulators IRM LLC (BM) 2007-02-21 CN disclosed
EP-1713799-A2 COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS IRM, LLC (BM) 2006-10-25 EP disclosed
WO-2005077124-A2 COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS IRM LLC (BM) 2005-08-25 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 (3 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-20130345220-A1 COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS NR1H2, NR1H3, NR1H4 PLOD2 4178/4885CES2 908/4885CES1 39/4885
US-20090325981-A1 Compounds and compositions as lxr modulators NR1H2, NR1H3, NR1H4 PLOD2 4178/4885CES2 908/4885CES1 39/4885
US-20120214812-A1 COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS NR1H2, NR1H3, NR1H4 PLOD2 4178/4885CES2 908/4885CES1 39/4885

“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.