Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6163014

CCOC(=O)c1cn(Cc2ccc(Oc3ccccc3)cc2)cc1Cc1cccc(/C=N\N)c1.O=C(O)C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
PDE3B Q13370 3/20 0.35
PDE3A Q14432 3/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
CHRM5 P08912 1/20 0.34
MAP2K1 Q02750 1/20 0.34
CCR8 P51685 1/20 0.33
KLKB1 P03952 1/20 0.33
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
P2RX3 P56373 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33

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 SCHEMBL6163017 1.00 TSHR (0.36) TSHRPDE3BPDE3AALDH1A1NPC1
Trifluoroacetic Acid SCHEMBL7100575 0.95 CCR8 (0.39) TSHRPDE3BPDE3ACCR8P2RX3
Trifluoroacetic Acid SCHEMBL7100570 0.95 CCR8 (0.39) TSHRPDE3BPDE3ACCR8P2RX3
Trifluoroacetic Acid SCHEMBL6166091 0.94 TSHR (0.39) TSHRPDE3BPDE3AALDH1A1RAB9A
Trifluoroacetic Acid SCHEMBL6166096 0.94 TSHR (0.39) TSHRPDE3BPDE3AALDH1A1RAB9A
Trifluoroacetic Acid SCHEMBL6161844 0.91 PDE3B (0.38) TSHRPDE3BPDE3AALDH1A1NPC1
Trifluoroacetic Acid SCHEMBL6161851 0.91 PDE3B (0.38) TSHRPDE3BPDE3AALDH1A1NPC1
Trifluoroacetic Acid SCHEMBL6164613 0.91 PDE3B (0.34) TSHRPDE3BPDE3ANPC1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL6162050 0.91 PDE3B (0.34) TSHRPDE3BPDE3ANPC1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL6164643 0.88 TSHR (0.39) TSHRPDE3BPDE3AALDH1A1SMN1; SMN2

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 1192/4885PDE3B 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.