Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6163890

CCOC(=O)N=C1CC=C([C@H]2C[C@H]2C(=O)Nc2ccc(-c3ccccc3C#N)cc2)C(C)=C1N.O=C(O)C(F)(F)F

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
F10 P00742 2/20 0.31
ABL1 P00519 1/20 0.31
P2RY12 Q9H244 1/20 0.31
PTPN1 P18031 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FPR1 P21462 1/20 0.31
FPR2 P25090 1/20 0.31
MC2R Q01718 1/20 0.30
DEGS1 O15121 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 SCHEMBL6164863 0.89 MEN1 (0.34) S1PR1S1PR3F10ABL1PTPN1
SCHEMBL6164989 0.82 F10 (0.38) F10FPR2
Trifluoroacetic Acid SCHEMBL6165931 0.79 ABL1 (0.33) ABL1
Trifluoroacetic Acid SCHEMBL6163894 0.78 S1PR1 (0.34) S1PR1S1PR3F10ABL1PTPN1
Trifluoroacetic Acid SCHEMBL6163932 0.76 F10 (0.43) F10
Trifluoroacetic Acid SCHEMBL6163840 0.75 FPR2 (0.39) F10FPR2
Trifluoroacetic Acid SCHEMBL6166279 0.72 PTPN1 (0.35) S1PR1S1PR3F10PTPN1MAPT
Trifluoroacetic Acid SCHEMBL6166478 0.71 PTPN1 (0.34) S1PR1S1PR3F10PTPN1MAPT
Trifluoroacetic Acid SCHEMBL6163933 0.70 F10 (0.36) F10ABL1
Trifluoroacetic Acid SCHEMBL6164869 0.70 FPR1 (0.35) S1PR1S1PR3F10ABL1ALDH1A1

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 S1PR1 3257/4885S1PR3 2824/4885F10 11/4885

“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.