Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6173089

CCOC(=O)c1cn(Cc2cccc(/C=N\N)c2)cc1Cc1ccc(C(=O)Nc2ccccc2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.39
RAB9A P51151 6/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
NPC1 O15118 3/20 0.38
GAA P10253 2/20 0.38
LMNA P02545 2/20 0.37
KDR P35968 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
STAT3 P40763 1/20 0.36
TP53 P04637 2/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
TNF P01375 1/20 0.36
NOD2 Q9HC29 1/20 0.36
NOD1 Q9Y239 1/20 0.36
POLB P06746 2/20 0.35
PKM P14618 1/20 0.35

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 SCHEMBL6173094 1.00 MAPT (0.39) MAPTRAB9ASMN1; SMN2NPC1GAA
Trifluoroacetic Acid SCHEMBL6165992 0.93 KLKB1 (0.33) MAPTSMN1; SMN2KMT2A
Trifluoroacetic Acid SCHEMBL6165985 0.93 KLKB1 (0.33) MAPTSMN1; SMN2KMT2A
Trifluoroacetic Acid SCHEMBL6165673 0.92 EPHX2 (0.40) MAPTTP53KDM4E
Trifluoroacetic Acid SCHEMBL6165679 0.92 EPHX2 (0.40) MAPTTP53KDM4E
Trifluoroacetic Acid SCHEMBL6161844 0.91 PDE3B (0.38) MAPTRAB9ASMN1; SMN2NPC1GAA
Trifluoroacetic Acid SCHEMBL6161851 0.91 PDE3B (0.38) MAPTRAB9ASMN1; SMN2NPC1GAA
Trifluoroacetic Acid SCHEMBL7104514 0.90 LMNA (0.36) MAPTSMN1; SMN2LMNATP53MEN1
Trifluoroacetic Acid SCHEMBL7104507 0.90 LMNA (0.36) MAPTSMN1; SMN2LMNATP53MEN1
Trifluoroacetic Acid SCHEMBL6167885 0.90 SMN1; SMN2 (0.34) MAPTSMN1; SMN2ALDH1A1KDM4EMEN1

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 4 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 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 MAPT 4356/4885RAB9A 2909/4885SMN1; SMN2 3889/4885

“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.