Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6166478

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

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.34
NPY1R P25929 1/20 0.34
NPY2R P49146 1/20 0.34
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32
MME P08473 1/20 0.32
CTSD P07339 1/20 0.32
BACE1 P56817 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
F9 P00740 1/20 0.32
F10 P00742 2/20 0.31
THRB P10828 1/20 0.31

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 SCHEMBL6165577 0.93 PSEN1 (0.34) PTPN1NPY1RNPY2RPSEN1PSEN2
Trifluoroacetic Acid SCHEMBL6164495 0.93 ITGB1 (0.34) PTPN1NPY1RNPY2RPSEN1PSEN2
Trifluoroacetic Acid SCHEMBL6166279 0.93 PTPN1 (0.35) PTPN1NPY1RNPY2RPSEN1PSEN2
Trifluoroacetic Acid SCHEMBL6163538 0.87 PSEN1 (0.34) PTPN1PSEN1PSEN2APH1BNCSTN
Trifluoroacetic Acid SCHEMBL6166166 0.86 PTPN1 (0.33) PTPN1NPY1RNPY2RPSEN1PSEN2
Trifluoroacetic Acid SCHEMBL6167374 0.84 MME (0.34) PTPN1PSEN1PSEN2APH1BNCSTN
Trifluoroacetic Acid SCHEMBL6172901 0.80 PTPN1 (0.42) PTPN1ITGB1ITGA4MMECTSD
Trifluoroacetic Acid SCHEMBL6166142 0.79 F9 (0.45) F9F10
Trifluoroacetic Acid SCHEMBL6165443 0.77 DHODH (0.34) PTPN1ITGB1ITGA4CTSDBACE1
Trifluoroacetic Acid SCHEMBL6166157 0.76 F10 (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 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 PTPN1 1142/4885NPY1R 691/4885NPY2R 947/4885

“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.