Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6165072

NN=Cc1cccc([C@H]2C[C@H]2C(=O)Nc2ccc(-c3cc(F)ccc3S(N)(=O)=O)cc2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.42
NCOR2 Q9Y618 3/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
F10 P00742 13/20 0.40
PRSS1 P07477 6/20 0.40
F2 P00734 1/20 0.40
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
NAMPT P43490 2/20 0.38
DEGS1 O15121 1/20 0.37

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 0.87 HDAC3 (0.43) HDAC3NCOR2HDAC1HDAC2NAMPT
SCHEMBL6162872 0.85 F10 (0.42) F10NAMPTDEGS1
SCHEMBL6165201 0.85 F10 (0.42) F10NAMPTDEGS1
SCHEMBL6164345 0.85 F10 (0.49) F10
SCHEMBL6166356 0.85 F10 (0.49) F10
Trifluoroacetic Acid SCHEMBL6165066 0.85 F10 (0.55) F10PRSS1F2PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL6165364 0.85 SCN3A (0.40) HDAC3NCOR2HDAC1HDAC2F10
Trifluoroacetic Acid SCHEMBL6168316 0.84 NAMPT (0.38) HDAC3NCOR2HDAC1HDAC2F10
Trifluoroacetic Acid SCHEMBL6163010 0.83 DEGS1 (0.42) HDAC3NCOR2HDAC1HDAC2NAMPT
Trifluoroacetic Acid SCHEMBL6163957 0.83 DEGS1 (0.42) HDAC3NCOR2HDAC1HDAC2F10

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 HDAC3 379/4885NCOR2 2085/4885HDAC1 533/4885

“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.