Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3522306

CN1CCN(c2ncn(Cc3cccc(F)c3)c(=O)c2Br)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.43
MAPT P10636 4/20 0.41
LMNA P02545 2/20 0.41
MAPK14 Q16539 3/20 0.41
RAD52 P43351 1/20 0.41
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GPR6 P46095 3/20 0.40
TAAR1 Q96RJ0 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CDK9 P50750 1/20 0.39
THRB P10828 1/20 0.39
MMP13 P45452 1/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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 SCHEMBL4473914 0.83 MAPK14 (0.46) MAPK14ALDH1A1L3MBTL1THRBKDM4E
SCHEMBL3521262 0.82 GPR119 (0.45) MAPTLMNAMAPK14ALDH1A1SMN1; SMN2
SCHEMBL3517699 0.81 MAPK14 (0.50) MAPTLMNAMAPK14ALDH1A1SMN1; SMN2
SCHEMBL3524971 0.73 MAPK14 (0.53) MAPTLMNAMAPK14ALDH1A1SMN1; SMN2
SCHEMBL3521221 0.70 MAPK14 (0.48) MAPTLMNAMAPK14ALDH1A1SMN1; SMN2
SCHEMBL3526494 0.69 MAPK14 (0.49) MAPTLMNAMAPK14ALDH1A1SMN1; SMN2
SCHEMBL3522310 0.69 L3MBTL1 (0.38) MAPK14L3MBTL1
SCHEMBL27683030 0.69 MMP13 (0.54) MAPTLMNAMAPK14ALDH1A1L3MBTL1
SCHEMBL3524646 0.69 KDM4E (0.44) MAPTLMNAMAPK14ALDH1A1SMN1; SMN2
SCHEMBL3524648 0.69 HPGD (0.46) MAPTLMNAMAPK14ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795271-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2010-09-14 US disclosed
US-20090306108-A1 SUBSTITUTED PYRIMIDINONES PFIZER INC 2009-12-10 US disclosed
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES PHARMACIA CORPORATION (US) 2007-07-19 US disclosed
US-7183287-B2 Substituted pyrimidinones PHARMACIA CORPORATION (US) 2007-02-27 US disclosed
US-20040242608-A1 Substituted pyrimidinones PHARMACIA LLC 2004-12-02 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 (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-20090306108-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 HRH4 484/4885MAPT 2576/4885LMNA 3164/4885
US-20040242608-A1 Substituted pyrimidinones MAPK1, MAPK7, MAP3K8 HRH4 674/4885MAPT 3038/4885LMNA 3198/4885
US-20070167621-A1 SUBSTITUTED PYRIMIDINONES MAPK1, MAP3K8, MAP3K7 HRH4 484/4885MAPT 2576/4885LMNA 3164/4885

“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.