Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6162050

CCOC(=O)c1cn(Cc2ccc3ccccc3c2)cc1Cc1cccc(C=NN)c1.O=C(O)C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.34
PDE3A Q14432 4/20 0.34
TBXA2R P21731 1/20 0.34
PTGER4 P35408 1/20 0.34
PTGFR P43088 1/20 0.34
PTGER3 P43115 1/20 0.34
PTGER2 P43116 1/20 0.34
PTGDR Q13258 1/20 0.34
TSHR P16473 1/20 0.34
CAPN1 P07384 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ICMT O60725 1/20 0.32
ESR1 P03372 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
F10 P00742 1/20 0.32
CRHBP P24387 1/20 0.32

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 SCHEMBL6164613 1.00 PDE3B (0.34) PDE3BPDE3ATBXA2RPTGER4PTGFR
Trifluoroacetic Acid SCHEMBL6166091 0.93 TSHR (0.39) PDE3BPDE3ATSHRKDM4EKMT2A
Trifluoroacetic Acid SCHEMBL6161844 0.93 PDE3B (0.38) PDE3BPDE3ATSHRKDM4ENPC1
Trifluoroacetic Acid SCHEMBL6161851 0.93 PDE3B (0.38) PDE3BPDE3ATSHRKDM4ENPC1
Trifluoroacetic Acid SCHEMBL6166096 0.93 TSHR (0.39) PDE3BPDE3ATSHRKDM4EKMT2A
Trifluoroacetic Acid SCHEMBL7100570 0.91 CCR8 (0.39) PDE3BPDE3ATSHRKDM4EKMT2A
Trifluoroacetic Acid SCHEMBL7100575 0.91 CCR8 (0.39) PDE3BPDE3ATSHRKDM4EKMT2A
Trifluoroacetic Acid SCHEMBL6163017 0.91 TSHR (0.36) PDE3BPDE3ATSHRKDM4ENPC1
Trifluoroacetic Acid SCHEMBL6163014 0.91 TSHR (0.36) PDE3BPDE3ATSHRKDM4ENPC1
Trifluoroacetic Acid SCHEMBL7101875 0.89 FNTA (0.37) PDE3BPDE3ATSHRKDM4EKMT2A

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 PDE3B 211/4885PDE3A 172/4885TBXA2R 235/4885

“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.