Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6166096

CCOC(=O)c1cn(Cc2ccccc2)cc1Cc1cccc(C=NN)c1.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
PDE3B Q13370 4/20 0.39
PDE3A Q14432 4/20 0.39
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
MAPT P10636 3/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 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 SCHEMBL6166091 1.00 TSHR (0.39) TSHRPDE3BPDE3ACRHBPCRHR2
Trifluoroacetic Acid SCHEMBL6161844 0.96 PDE3B (0.38) TSHRPDE3BPDE3ACRHBPCRHR2
Trifluoroacetic Acid SCHEMBL6161851 0.96 PDE3B (0.38) TSHRPDE3BPDE3ACRHBPCRHR2
Trifluoroacetic Acid SCHEMBL6163014 0.94 TSHR (0.36) TSHRPDE3BPDE3ACRHBPCRHR2
Trifluoroacetic Acid SCHEMBL6163017 0.94 TSHR (0.36) TSHRPDE3BPDE3ACRHBPCRHR2
Trifluoroacetic Acid SCHEMBL7100570 0.93 CCR8 (0.39) TSHRPDE3BPDE3AMAPTKDM4E
Trifluoroacetic Acid SCHEMBL6162050 0.93 PDE3B (0.34) TSHRPDE3BPDE3ACRHBPCRHR2
Trifluoroacetic Acid SCHEMBL7100575 0.93 CCR8 (0.39) TSHRPDE3BPDE3AMAPTKDM4E
Trifluoroacetic Acid SCHEMBL6164613 0.93 PDE3B (0.34) TSHRPDE3BPDE3ACRHBPCRHR2
Trifluoroacetic Acid SCHEMBL6164643 0.91 TSHR (0.39) TSHRPDE3BPDE3ACRHBPCRHR2

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
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
US-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof LG CHEM INVESTMENT LTD. (KR) 2003-04-03 US 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 1192/4885PDE3B 211/4885PDE3A 172/4885

“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.