Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6165413

CCOC(=O)c1cn(Cc2ccc(C=NN)cc2)cc1Cc1ccccc1.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
PDE3B Q13370 4/20 0.37
PDE3A Q14432 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MAPK1 P28482 1/20 0.35
ACHE P22303 1/20 0.35
CYP19A1 P11511 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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 SCHEMBL6165408 1.00 TSHR (0.39) TSHRCRHBPCRHR2PDE3BPDE3A
Trifluoroacetic Acid SCHEMBL6164639 1.00 TSHR (0.39) TSHRCRHBPCRHR2PDE3BPDE3A
Trifluoroacetic Acid SCHEMBL6164643 1.00 TSHR (0.39) TSHRCRHBPCRHR2PDE3BPDE3A
Trifluoroacetic Acid SCHEMBL6161851 0.91 PDE3B (0.38) TSHRCRHBPCRHR2PDE3BPDE3A
Trifluoroacetic Acid SCHEMBL6166091 0.91 TSHR (0.39) TSHRCRHBPCRHR2PDE3BPDE3A
Trifluoroacetic Acid SCHEMBL6166096 0.91 TSHR (0.39) TSHRCRHBPCRHR2PDE3BPDE3A
Trifluoroacetic Acid SCHEMBL6161844 0.91 PDE3B (0.38) TSHRCRHBPCRHR2PDE3BPDE3A
Trifluoroacetic Acid SCHEMBL6163014 0.88 TSHR (0.36) TSHRCRHBPCRHR2PDE3BPDE3A
Trifluoroacetic Acid SCHEMBL6163017 0.88 TSHR (0.36) TSHRCRHBPCRHR2PDE3BPDE3A
Trifluoroacetic Acid SCHEMBL7106592 0.87 GRM2 (0.34) TSHRPDE3BPDE3ASMN1; SMN2ALDH1A1

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 TSHR 1192/4885CRHBP 3243/4885CRHR2 3202/4885

“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.