Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6163538

CCN([C@@H](CC1=CCC(=NO)C(N)=C1C)C(=O)Nc1ccc(-c2ccccc2C#N)cc1)S(C)(=O)=O.O=C(O)C(F)(F)F

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
PTPN1 P18031 1/20 0.33
ITGB1 P05556 2/20 0.33
ITGA4 P13612 2/20 0.33
MME P08473 1/20 0.33
F9 P00740 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
F10 P00742 2/20 0.31
AR P10275 2/20 0.31
ABCC9 O60706 1/20 0.30
ABCC8 Q09428 1/20 0.30
KCNJ11 Q14654 1/20 0.30
KCNJ8 Q15842 1/20 0.30
ITGB7 P26010 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 SCHEMBL6167374 0.94 MME (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
Trifluoroacetic Acid SCHEMBL6166166 0.92 PTPN1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
Trifluoroacetic Acid SCHEMBL6166157 0.90 F10 (0.36) F9F10
Trifluoroacetic Acid SCHEMBL6166299 0.89 F10 (0.39) F9F10
Trifluoroacetic Acid SCHEMBL6164495 0.88 ITGB1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
Trifluoroacetic Acid SCHEMBL6166478 0.87 PTPN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
Trifluoroacetic Acid SCHEMBL6166279 0.86 PTPN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
Trifluoroacetic Acid SCHEMBL6165577 0.86 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
Trifluoroacetic Acid SCHEMBL7104693 0.83 F10 (0.35) F9F10
Trifluoroacetic Acid SCHEMBL7107504 0.82 F2 (0.36) F9F10

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 PSEN1 4297/4885PSEN2 4676/4885APH1B 593/4885

“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.