Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6163938

Nc1cccc([C@H]2C[C@H]2C(=O)Nc2ccc(-c3cc(F)ccc3S(N)(=O)=O)cc2)c1C=NO.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.39
PRSS1 P07477 10/20 0.39
F2 P00734 9/20 0.39
HDAC3 O15379 3/20 0.39
NCOR2 Q9Y618 3/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
PRSS2 P07478 8/20 0.38
PRSS3 P35030 8/20 0.38
LTB4R Q15722 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35
JAK2 O60674 1/20 0.35
ROCK2 O75116 1/20 0.35
JAK3 P52333 1/20 0.35
ROCK1 Q13464 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 SCHEMBL6163935 0.91 F10 (0.46) F10PRSS1F2PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL6163846 0.82 FPR2 (0.41) F10PRSS1F2PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL6165072 0.81 HDAC3 (0.42) F10PRSS1F2HDAC3NCOR2
Trifluoroacetic Acid SCHEMBL6164869 0.81 FPR1 (0.35) F10PRSS1F2HDAC3NCOR2
Trifluoroacetic Acid SCHEMBL6165932 0.79 ABL1 (0.33) HDAC3NCOR2HDAC1HDAC2
Trifluoroacetic Acid SCHEMBL6165066 0.78 F10 (0.55) F10PRSS1F2PRSS2PRSS3
SCHEMBL6165688 0.77 F10 (0.43) F10PRSS1F2PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL6163933 0.76 F10 (0.36) F10PRSS1F2HDAC3NCOR2
SCHEMBL6167768 0.75 F10 (0.41) F10PRSS1F2PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL6163894 0.70 S1PR1 (0.34) F10PRSS1F2HDAC3NCOR2

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 F10 11/4885PRSS1 43/4885F2 1/4885

“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.