Sugi Predict

Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1244604

O=C(O)C(F)(F)F.O=c1ccn2c(-c3ccc(F)cc3F)cccc2c1-c1c(Cl)cccc1Cl

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 1/20 0.67
▸ RORC P51449 4/20 0.35
▸ PPARG P37231 2/20 0.35
▸ MAPK13 O15264 5/20 0.34
▸ MAPK12 P53778 5/20 0.34
▸ MAPK11 Q15759 5/20 0.34
▸ MAPK14 Q16539 5/20 0.34
▸ ABL1 P00519 1/20 0.33
▸ LCK P06239 1/20 0.33
▸ FYN P06241 1/20 0.33
▸ CSF1R P07333 1/20 0.33
▸ YES1 P07947 1/20 0.33
▸ LYN P07948 1/20 0.33
▸ HCK P08631 1/20 0.33
▸ ADRA2A P08913 1/20 0.33
▸ ROS1 P08922 1/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ FGR P09769 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ SRC P12931 1/20 0.33

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
SCHEMBL12445707 0.92 NR1I2 (0.80) NR1I2MAPK13MAPK12MAPK11MAPK14
Trifluoroacetic Acid SCHEMBL1244384 0.90 NR1I2 (0.53) NR1I2RORCMAPK14
SCHEMBL1242149 0.81 NR1I2 (1.00) NR1I2MAPK13MAPK12MAPK11MAPK14
SCHEMBL1243513 0.81 NR1I2 (0.77) NR1I2RORC
SCHEMBL12445706 0.81 NR1I2 (0.62) NR1I2MAPK13MAPK12MAPK11MAPK14
SCHEMBL1243524 0.79 NR1I2 (0.69) NR1I2RORCPPARG
SCHEMBL1243685 0.79 NR1I2 (0.62) NR1I2
SCHEMBL1243881 0.78 NR1I2 (0.75) NR1I2RORC
SCHEMBL1243520 0.78 NR1I2 (0.75) NR1I2MAPK14
SCHEMBL1242104 0.77 NR1I2 (0.82) NR1I2MAPK13MAPK12MAPK11MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1915373-B1 HETEROBICYCLIC COMPOUNDS USEFUL AS P38 KINASE INHIBITING AGENTS MERCK SHARP & DOHME (US) 2013-05-22 — — EP disclosed
US-20110183959-A1 P38 KINASE INHIBITING AGENTS CHEN MENG-HSIN 2011-07-28 — — US disclosed
US-7879875-B2 such as 6-(2,4-difluorophenyl)-1-[2-fluoro-5-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-2H-quinolizin-2-one, used as antipyretics, analgesics, or in the treatment of arthritis, osteoarthritis, eczema, psoriasis and vision defects Merk Sharp & Dohme Corp. (US) 2011-02-01 — — US disclosed
US-20090131472-A1 P38 Kinase Inhibiting Agents MERCK SHARP & DOHME LLC 2009-05-21 — — US disclosed
EP-1915373-A1 HETEROBICYCLIC COMPOUNDS USEFUL AS P38 KINASE INHIBITING AGENTS Merck and Co., Inc. (US) 2008-04-30 — — EP disclosed
WO-2007021710-A1 HETEROBICYCLIC COMPOUNDS USEFUL AS P38 KINASE INHIBITING AGENTS MERCK & CO., INC. (US) 2007-02-22 — — 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 (2 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-20090131472-A1 P38 Kinase Inhibiting Agents MAPK1, MAPK8, MAPK7 NR1I2 417/4885RORC 112/4885PPARG 599/4885
US-20110183959-A1 P38 KINASE INHIBITING AGENTS MAPK1, MAPK8, MAPK7 NR1I2 589/4885RORC 82/4885PPARG 703/4885

“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.