Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6166384

CCOC(=O)[C@H](Cc1ccnc(C(=N)N)c1)NC(=O)c1ccc(-c2ccccc2C#N)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.42
CTSG P08311 3/20 0.42
CMA1 P23946 2/20 0.41
CTSD P07339 1/20 0.40
BACE1 P56817 1/20 0.40
BACE2 Q9Y5Z0 1/20 0.40
F10 P00742 5/20 0.40
PRSS1 P07477 5/20 0.40
F2 P00734 4/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
PPARG P37231 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
CYP26A1 O43174 1/20 0.39
CTSB P07858 2/20 0.39
CTSS P25774 2/20 0.39
CTSK P43235 2/20 0.39
CTSL P07711 1/20 0.38

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 SCHEMBL7106869 0.94 F10 (0.44) PTPN1F10PRSS1F2GAA
Trifluoroacetic Acid SCHEMBL7108467 0.89 PTPN1 (0.41) PTPN1CTSDBACE1BACE2F10
Trifluoroacetic Acid SCHEMBL6166385 0.86 PTPN1 (0.42) PTPN1CTSGCMA1CTSDBACE1
Trifluoroacetic Acid SCHEMBL6166382 0.86 PTPN1 (0.42) PTPN1CTSGCMA1CTSDBACE1
Trifluoroacetic Acid SCHEMBL6164347 0.82 F10 (0.58) F10PRSS1F2PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL7106872 0.80 PTPN1 (0.42) PTPN1CTSGCMA1CTSDBACE1
Trifluoroacetic Acid SCHEMBL7106866 0.80 PTPN1 (0.42) PTPN1CTSGCMA1CTSDBACE1
Trifluoroacetic Acid SCHEMBL6170322 0.78 CTSS (0.52) F10PRSS1F2PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL6167612 0.75 F10 (0.63) F10PRSS1F2PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL6174580 0.74 F10 (0.52) PTPN1F10PRSS1F2PRSS2

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 1142/4885CTSG 814/4885CMA1 378/4885

“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.