Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6163770

N#Cc1cscc1-c1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccc(C=NN)c2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 1/20 0.37
NAMPT P43490 6/20 0.35
ABL1 P00519 1/20 0.35
HDAC3 O15379 2/20 0.34
NCOR2 Q9Y618 2/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
SCN3A Q9NY46 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
CYP3A4 P08684 3/20 0.34
CYP2C9 P11712 3/20 0.34
CYP2D6 P10635 2/20 0.34
TRPM5 Q9NZQ8 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 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
Trifluoroacetic Acid SCHEMBL6166615 0.86 SCN3A (0.37) DEGS1NAMPTHDAC3NCOR2HDAC1
Trifluoroacetic Acid SCHEMBL6163765 0.84 F10 (0.43) DEGS1
SCHEMBL6166613 0.84 DEGS1 (0.43) DEGS1NAMPTHDAC3NCOR2HDAC1
Trifluoroacetic Acid SCHEMBL6167450 0.83 HDAC3 (0.43) DEGS1NAMPTHDAC3NCOR2HDAC1
Trifluoroacetic Acid SCHEMBL6163957 0.82 DEGS1 (0.42) DEGS1NAMPTHDAC3NCOR2HDAC1
Trifluoroacetic Acid SCHEMBL6163010 0.82 DEGS1 (0.42) DEGS1NAMPTHDAC3NCOR2HDAC1
Trifluoroacetic Acid SCHEMBL6165364 0.81 SCN3A (0.40) DEGS1NAMPTHDAC3NCOR2HDAC1
Trifluoroacetic Acid SCHEMBL6165932 0.81 ABL1 (0.33) DEGS1NAMPTABL1HDAC3NCOR2
Trifluoroacetic Acid SCHEMBL6164333 0.81 DEGS1 (0.45) DEGS1NAMPTHDAC3NCOR2HDAC1
Trifluoroacetic Acid SCHEMBL6168316 0.80 NAMPT (0.38) DEGS1NAMPTHDAC3NCOR2HDAC1

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
EP-1254136-A4 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD (KR) 2005-06-01 EP claimed
US-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof LG CHEM INVESTMENT LTD. (KR) 2003-04-03 US claimed
EP-1254136-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG Chem Investment, Ltd. (KR) 2002-11-06 EP claimed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 WO claimed
EP-1254136-A4 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD (KR) 2005-06-01 EP disclosed
US-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof LG CHEM INVESTMENT LTD. (KR) 2003-04-03 US disclosed
EP-1254136-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG Chem Investment, Ltd. (KR) 2002-11-06 EP disclosed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 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-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof F2, F12, TFPI DEGS1 2512/4885NAMPT 348/4885ABL1 1437/4885

“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.