Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6163957

NN=Cc1cccc([C@H]2C[C@H]2C(=O)Nc2ccc(-c3ccccc3C(F)(F)F)cc2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 1/20 0.42
NAMPT P43490 5/20 0.40
TRPM5 Q9NZQ8 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
HDAC3 O15379 2/20 0.39
NCOR2 Q9Y618 2/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
SCN3A Q9NY46 1/20 0.39
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TDP1 Q9NUW8 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 SCHEMBL6167450 0.91 HDAC3 (0.43) DEGS1NAMPTTRPM5SMN1; SMN2ALDH1A1
Trifluoroacetic Acid SCHEMBL6163010 0.90 DEGS1 (0.42) DEGS1NAMPTTRPM5SMN1; SMN2ALDH1A1
Trifluoroacetic Acid SCHEMBL6165732 0.86 SCN3A (0.42) DEGS1NAMPTSCN3AF2F10
Trifluoroacetic Acid SCHEMBL6164333 0.85 DEGS1 (0.45) DEGS1NAMPTTRPM5SMN1; SMN2ALDH1A1
Trifluoroacetic Acid SCHEMBL6165364 0.84 SCN3A (0.40) DEGS1NAMPTSMN1; SMN2ALDH1A1LMNA
Trifluoroacetic Acid SCHEMBL6165072 0.83 HDAC3 (0.42) DEGS1NAMPTHDAC3NCOR2HDAC1
Trifluoroacetic Acid SCHEMBL6163953 0.83 F10 (0.51) DEGS1F2F10PRSS1
Trifluoroacetic Acid SCHEMBL6163770 0.82 DEGS1 (0.37) DEGS1NAMPTTRPM5SMN1; SMN2ALDH1A1
Trifluoroacetic Acid SCHEMBL6166615 0.82 SCN3A (0.37) DEGS1NAMPTTRPM5SMN1; SMN2ALDH1A1
Trifluoroacetic Acid SCHEMBL6168316 0.82 NAMPT (0.38) DEGS1NAMPTTRPM5HDAC3NCOR2

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 348/4885TRPM5 3278/4885

“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.