Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4473914

CN1CCN(c2ccn(Cc3cccc(F)c3)c(=O)c2Br)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
MAPK14 Q16539 3/20 0.46
HTR6 P50406 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPY2R P49146 1/20 0.40
DRD2 P14416 3/20 0.39
DRD4 P21917 2/20 0.39
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
PDE1C Q14123 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38
GNRHR P30968 1/20 0.38
PTGER3 P43115 1/20 0.37

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 SCHEMBL3522306 0.83 HRH4 (0.43) MAPK14L3MBTL1ALDH1A1KDM4ETHRB
SCHEMBL4469675 0.82 MAPK14 (0.48) MAPK14HTR6ALDH1A1NPY2RTP53
SCHEMBL27621117 0.81 MAPK14 (0.47) MAPK14HTR6L3MBTL1ALDH1A1KDM4E
SCHEMBL4474203 0.81 MAPK14 (0.57) MAPK14HTR6L3MBTL1ALDH1A1KMT2A
Tert-Butyl Formate SCHEMBL27621119 0.75 MAPK14 (0.46) MAPK14HTR6DRD2PDE1APDE1B
SCHEMBL4374173 0.72 MAPK14 (0.61) MAPK14L3MBTL1ALDH1A1KMT2AKDM4E
SCHEMBL4378463 0.71 MAPK14 (0.64) MAPK14L3MBTL1ALDH1A1KMT2AKDM4E
SCHEMBL3522310 0.70 L3MBTL1 (0.38) MAPK14HTR6L3MBTL1KMT2ANPY2R
SCHEMBL1868340 0.70 VEGFA (0.63) HTR6L3MBTL1ALDH1A1KMT2ADRD2
SCHEMBL4384464 0.69 MAPK14 (0.61) MAPK14L3MBTL1ALDH1A1KMT2AKDM4E

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
US-20040058964-A1 Substituted pyridinones PHARMACIA LLC 2004-03-25 US claimed
US-7629363-B2 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PFIZER INC (US) 2009-12-08 US disclosed
US-7067540-B2 Substituted pyridinones PHARMACIA CORPORATION (US) 2006-06-27 US disclosed
US-20050176775-A1 Substituted pyridinones PHARMACIA CORPORATION 2005-08-11 US disclosed
WO-2005018557-A2 SUBSTITUTED PYRIDINONES PHARMACIA CORPORATION (US) 2005-03-03 WO disclosed
US-20040058964-A1 Substituted pyridinones PHARMACIA LLC 2004-03-25 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 (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-20040058964-A1 Substituted pyridinones MAPK1, MAPK6, MAPK7 MAPK14 41/4885HTR6 626/4885L3MBTL1 3937/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 MAPK14 53/4885HTR6 389/4885L3MBTL1 3850/4885

“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.