Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6165932

N#Cc1cscc1-c1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccc(N)c2C=NO)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.33
HDAC3 O15379 2/20 0.31
NCOR2 Q9Y618 2/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
DEGS1 O15121 1/20 0.31
CYP3A4 P08684 1/20 0.30
NAMPT P43490 1/20 0.30

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 SCHEMBL6164869 0.90 FPR1 (0.35) ABL1HDAC3NCOR2HDAC1HDAC2
Trifluoroacetic Acid SCHEMBL6163935 0.81 F10 (0.46)
Trifluoroacetic Acid SCHEMBL6163770 0.81 DEGS1 (0.37) ABL1HDAC3NCOR2HDAC1HDAC2
Trifluoroacetic Acid SCHEMBL6163894 0.80 S1PR1 (0.34) ABL1HDAC3NCOR2HDAC1HDAC2
Trifluoroacetic Acid SCHEMBL6163846 0.79 FPR2 (0.41)
Trifluoroacetic Acid SCHEMBL6163938 0.79 F10 (0.39) HDAC3NCOR2HDAC1HDAC2
Trifluoroacetic Acid SCHEMBL6163765 0.76 F10 (0.43) DEGS1
Trifluoroacetic Acid SCHEMBL6165931 0.75 ABL1 (0.33) ABL1
SCHEMBL6165688 0.74 F10 (0.43) CYP3A4NAMPT
Trifluoroacetic Acid SCHEMBL6166615 0.67 SCN3A (0.37) HDAC3NCOR2HDAC1HDAC2DEGS1

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
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-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 ABL1 1437/4885HDAC3 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.