Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7039259

NCCCC[C@@](N)(C(=O)Nc1ccc(C(c2ccc(NC(=O)[C@](N)(CCCCN)C(=O)c3ccc4ccccc4c3)cc2)c2ccc(NC(=O)[C@](N)(CCCCN)C(=O)c3ccc4ccccc4c3)cc2)cc1)C(=O)c1ccc2ccccc2c1.O=C(O)C(F)(F)F

nearest known ligand 0.40

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB1 P18505 3/20 0.40
GABRB2 P47870 3/20 0.40
NR1H4 Q96RI1 1/20 0.38
GABBR2 O75899 3/20 0.37
GABBR1 Q9UBS5 3/20 0.37
TNIK Q9UKE5 1/20 0.37
DGAT1 O75907 1/20 0.36
DEGS1 O15121 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
F2 P00734 2/20 0.36
TMPRSS6 Q8IU80 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35

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 SCHEMBL6290918 0.89 MLYCD (0.37) MEN1KMT2AF2TMPRSS6HDAC3
Trifluoroacetic Acid SCHEMBL6287794 0.89 MLYCD (0.37) MEN1KMT2AF2TMPRSS6HDAC3
Trifluoroacetic Acid SCHEMBL7038495 0.88 TP53 (0.35) F2TMPRSS6NPC1RAB9A
Trifluoroacetic Acid SCHEMBL6286326 0.84 NR1H4 (0.37) NR1H4DEGS1MEN1KMT2AF2
Trifluoroacetic Acid SCHEMBL7039294 0.83 KLK1 (0.39) MEN1KMT2AF2NPC1RAB9A
Trifluoroacetic Acid SCHEMBL6287884 0.82 KEAP1 (0.37) MEN1KMT2AHDAC3HDAC4HDAC1
Trifluoroacetic Acid SCHEMBL6286281 0.81 CES1 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
Trifluoroacetic Acid SCHEMBL6288018 0.81 CES1 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL6290949 0.76 EGFR (0.45) HDAC3HDAC1NPC1RAB9A
Hydrochloric Acid SCHEMBL6285434 0.76 PLG (0.35) F2HDAC1HDAC6NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030162724-A1 Compounds exhibiting thrombopoietin-like activities CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-08-28 US disclosed
EP-1291341-A1 COMPOUNDS EXHIBITING THROMBOPOIETIN-LIKE ACTIVITIES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-03-12 EP 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-20030162724-A1 Compounds exhibiting thrombopoietin-like activities MPL, THPO, TEK GABRB1 3862/4885GABRB2 4087/4885NR1H4 3735/4885

“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.