Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2730302

Cc1ccc(C(=O)NCc2ccccc2)cc1-c1nc(NC(CO)CO)nc2c1ccc(=O)n2-c1c(F)cccc1F.O=C(O)C(F)(F)F

nearest known ligand 0.37

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.37
BRAF P15056 1/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 3/20 0.37
POLB P06746 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
TP53 P04637 2/20 0.36
ALDH1A1 P00352 3/20 0.36
DDR2 Q16832 2/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPK14 Q16539 2/20 0.35
MAPK1 P28482 1/20 0.34
PDE2A O00408 1/20 0.34
DGAT2 Q96PD7 1/20 0.33
F2 P00734 1/20 0.33
F3 P13726 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
SCHEMBL3526090 0.96 MAPT (0.39) RAF1BRAFMAPTLMNAPOLB
Trifluoroacetic Acid SCHEMBL2722032 0.94 ALDH1A1 (0.38) MAPTLMNAPOLBALDH1A1HPGD
Trifluoroacetic Acid SCHEMBL2720040 0.93 TP53 (0.38) RAF1BRAFMAPTLMNAPOLB
SCHEMBL2730303 0.92 MAPT (0.35) RAF1BRAFMAPTLMNAPOLB
Trifluoroacetic Acid SCHEMBL2721031 0.92 MLYCD (0.37) RAF1BRAFMAPTPOLBRXFP1
Trifluoroacetic Acid SCHEMBL2720497 0.91 RAF1 (0.38) RAF1BRAFPOLBALDH1A1HPGD
SCHEMBL2718658 0.90 TP53 (0.40) RAF1BRAFMAPTLMNAPOLB
Trifluoroacetic Acid SCHEMBL2721213 0.90 RAF1 (0.37) RAF1BRAFMAPK14DGAT2F3
Trifluoroacetic Acid SCHEMBL2722016 0.89 MAPK14 (0.41) RAF1BRAFMAPK14
SCHEMBL3534623 0.89 ALDH1A1 (0.40) LMNAPOLBALDH1A1HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354416-B2 3-[2-{[3-(diethylamino)propyl]amino}-8-(2,6-difluorophenyl)-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-4-yl]-5-fluoro-4-methyl-N-(1-methylethyl)benzamide; treating CSBP/p38 kinase mediated diseases; cytokine suppressive anti-inflammatory drugs; mitogen-activated protein kinase inhibitors GLAXO GROUP LIMITED (GB) 2013-01-15 US disclosed
US-8207176-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-06-26 US disclosed
EP-2447266-A1 Pyrimidopyridine compound used as a CSBP/RK/p38 modulator GLAXO GROUP LIMITED (GB) 2012-05-02 EP disclosed
US-20100144755-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2010-06-10 US disclosed
US-7678801-B2 3-(8-(2,6-Difluorophenyl)-2-{[2-(methylamino)ethyl]amino}-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-4-yl)-4-methyl-N-1,3-thiazol-2-ylbenzamide; treating CSBP/p38 kinase mediated diseases; cytokine suppressive anti-inflammatory drugs; mitogen-activated protein kinase inhibitors GLAXO GROUP LIMITED (GB) 2010-03-16 US disclosed
US-20090156597-A1 Novel Compounds GLAXO GROUP LIMITED 2009-06-18 US disclosed
US-20090069318-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2009-03-12 US disclosed
US-20060235029-A1 Novel compounds GLAXO GROUP LIMITED (GB) 2006-10-19 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 (4 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-20100144755-A1 Novel Compounds MAPKAPK2, CDC42BPB, MAPK8 RAF1 206/4885BRAF 100/4885MAPT 2315/4885
US-20090156597-A1 Novel Compounds MAPKAPK2, MAPK8, MAPKAPK3 RAF1 163/4885BRAF 84/4885MAPT 2161/4885
US-20060235029-A1 Novel compounds MAPKAPK2, CDC42BPB, MAPK8 RAF1 206/4885BRAF 100/4885MAPT 2315/4885
US-20090069318-A1 Novel Compounds MAPKAPK2, MAPK8, MAPKAPK3 RAF1 163/4885BRAF 84/4885MAPT 2161/4885

“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.