Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6165364

NN=Cc1cccc([C@H]2C[C@H]2C(=O)Nc2ccc(-c3ccsc3S(N)(=O)=O)cc2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN3A Q9NY46 5/20 0.40
NAMPT P43490 6/20 0.39
DEGS1 O15121 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
CYP3A4 P08684 3/20 0.36
CYP2C9 P11712 3/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 1/20 0.36
F10 P00742 2/20 0.36
F2 P00734 1/20 0.36
PRSS1 P07477 1/20 0.36
HDAC3 O15379 2/20 0.35
NCOR2 Q9Y618 2/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 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 SCHEMBL6168316 0.88 NAMPT (0.38) SCN3ANAMPTDEGS1CYP3A4CYP2C9
Trifluoroacetic Acid SCHEMBL6166615 0.88 SCN3A (0.37) SCN3ANAMPTDEGS1SCN5ASCN9A
Trifluoroacetic Acid SCHEMBL6165072 0.85 HDAC3 (0.42) NAMPTDEGS1F10F2PRSS1
Trifluoroacetic Acid SCHEMBL6165358 0.85 F10 (0.50) F10F2PRSS1
Trifluoroacetic Acid SCHEMBL6167450 0.84 HDAC3 (0.43) SCN3ANAMPTDEGS1CYP3A4CYP2C9
Trifluoroacetic Acid SCHEMBL6163957 0.84 DEGS1 (0.42) SCN3ANAMPTDEGS1CYP3A4CYP2C9
Trifluoroacetic Acid SCHEMBL6163010 0.84 DEGS1 (0.42) SCN3ANAMPTDEGS1CYP3A4CYP2C9
Trifluoroacetic Acid SCHEMBL6164333 0.82 DEGS1 (0.45) SCN3ANAMPTDEGS1CYP3A4CYP2C9
Trifluoroacetic Acid SCHEMBL6165732 0.82 SCN3A (0.42) SCN3ANAMPTDEGS1F10F2
Trifluoroacetic Acid SCHEMBL6163770 0.81 DEGS1 (0.37) SCN3ANAMPTDEGS1CYP3A4CYP2C9

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 5 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
US-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof LG CHEM INVESTMENT LTD. (KR) 2003-04-03 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 (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 SCN3A 539/4885NAMPT 348/4885DEGS1 2512/4885

“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.