Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6164329

N=C(N)c1cccc([C@H]2C[C@H]2C(=O)Nc2ccc(Br)cc2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 1/20 0.46
HDAC3 O15379 2/20 0.44
NCOR2 Q9Y618 2/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
NAMPT P43490 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
F2 P00734 2/20 0.43
TMPRSS6 Q8IU80 1/20 0.43
F10 P00742 6/20 0.42
PRSS1 P07477 3/20 0.42
KLK1 P06870 1/20 0.42
KLK5 Q9Y337 1/20 0.42
KDM1A O60341 2/20 0.42
MAOB P27338 1/20 0.42
ITGB3 P05106 1/20 0.42

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 SCHEMBL6167447 0.85 F10 (0.50) DEGS1HDAC3NCOR2HDAC1HDAC2
Trifluoroacetic Acid SCHEMBL6163953 0.84 F10 (0.51) DEGS1F2F10PRSS1
Trifluoroacetic Acid SCHEMBL6163009 0.84 F10 (0.51) DEGS1F2F10PRSS1KLK1
Trifluoroacetic Acid SCHEMBL7106426 0.83 F10 (0.53) DEGS1NAMPTALDH1A1LMNAGAA
Trifluoroacetic Acid SCHEMBL6165358 0.81 F10 (0.50) F2F10PRSS1
Trifluoroacetic Acid SCHEMBL6164333 0.80 DEGS1 (0.45) DEGS1HDAC3NCOR2HDAC1HDAC2
Trifluoroacetic Acid SCHEMBL6165729 0.80 F10 (0.55) F2F10PRSS1
Trifluoroacetic Acid SCHEMBL6165066 0.80 F10 (0.55) F2F10PRSS1
Trifluoroacetic Acid SCHEMBL6166608 0.80 F10 (0.43) DEGS1F2F10PRSS1
Trifluoroacetic Acid SCHEMBL6163765 0.80 F10 (0.43) DEGS1F2F10PRSS1

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 2512/4885HDAC3 379/4885NCOR2 2085/4885

“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.