Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL17065161

Fc1ccc(-c2nnc(C3CCNCC3)[nH]2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK11 Q15759 2/20 0.43
MAPK14 Q16539 2/20 0.43
MAPK13 O15264 1/20 0.43
RAF1 P04049 1/20 0.43
MAPK9 P45984 1/20 0.43
MAPK12 P53778 1/20 0.43
PRCP P42785 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
TNKS O95271 5/20 0.38
TNKS2 Q9H2K2 5/20 0.38
PARP1 P09874 5/20 0.38
PLAT P00750 3/20 0.38
KCNH2 Q12809 2/20 0.36
KDM1A O60341 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
DPP4 P27487 1/20 0.34

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
SCHEMBL17073562 0.88 MAPK11 (0.51) MAPK11MAPK14MAPK13RAF1MAPK9
Trifluoroacetic Acid SCHEMBL3899109 0.85 PARP1 (0.33) TNKSTNKS2PARP1PLATPARP2
Trifluoroacetic Acid SCHEMBL29562329 0.83 HPGDS (0.44) PARP1
Trifluoroacetic Acid SCHEMBL1501844 0.80 PLAT (0.46) MKNK1MKNK2PLATKCNH2
SCHEMBL19428036 0.80 PTGS1 (0.49) MAPK11MAPK14MAPK13RAF1MAPK9
SCHEMBL2755237 0.79 HTR2C (0.54) MAPK11MAPK14MAPK13RAF1MAPK9
Hydrochloric Acid SCHEMBL237629 0.78 HTR2C (0.55) MAPK11MAPK14MAPK13RAF1MAPK9
Trifluoroacetic Acid SCHEMBL2277078 0.78 SCN9A (0.39) MAPK11MAPK14MAPK13RAF1MAPK9
SCHEMBL2755234 0.77 CHEK2 (0.46) PARP1PARP2
SCHEMBL3941345 0.77 HPGDS (0.50) PLATKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9771369-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2017-09-26 US disclosed
US-20150284397-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2015-10-08 US disclosed
WO-2015134536-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2015-09-11 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-20150284397-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, PRKCH, PRKACA MAPK11 136/4885MAPK14 169/4885MAPK13 76/4885

“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.