Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4388146

NCCOCCNC(=O)CCC(=O)O.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 3/20 0.40
NPY4R P50391 2/20 0.40
CA12 O43570 4/20 0.37
CA1 P00915 4/20 0.37
CA2 P00918 4/20 0.37
CA4 P22748 4/20 0.37
CA9 Q16790 4/20 0.37
CA14 Q9ULX7 4/20 0.37
KDM4E B2RXH2 2/20 0.35
KDM5C P41229 2/20 0.35
PHF8 Q9UPP1 2/20 0.35
KDM2A Q9Y2K7 2/20 0.35
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
TSHR P16473 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HTT P42858 1/20 0.33
KDM6B O15054 1/20 0.32
FOLH1 Q04609 1/20 0.32
EGLN1 Q9GZT9 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 SCHEMBL29896420 0.91 CA12 (0.40) NPY1RNPY4RCA12CA1CA2
SCHEMBL2323385 0.91 CA2 (0.42) CA12CA1CA2CA4CA9
SCHEMBL23157519 0.89 CA2 (0.44) CA12CA1CA2CA4CA9
SCHEMBL158484 0.89 CA2 (0.44) CA12CA1CA2CA4CA9
SCHEMBL23157585 0.89 CA2 (0.44) CA12CA1CA2CA4CA9
SCHEMBL23157565 0.89 CA2 (0.44) CA12CA1CA2CA4CA9
Trifluoroacetic Acid SCHEMBL4397272 0.84 KDM4E (0.42) NPY1RNPY4RKDM4EKDM5CPHF8
SCHEMBL19172671 0.82 CA2 (0.49) CA12CA1CA2CA4CA9
SCHEMBL13581469 0.82 PHF8 (0.46) CA12CA1CA2CA4CA9
SCHEMBL26618209 0.81 CA2 (0.39) NPY1RNPY4RCA12CA1CA2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120308646-A1 TETRACYCLIC ANTHRAQUINONES POSSESSING ANTI-CANCER PROPERTIES ZHANG HESHENG (CN) 2012-12-06 US disclosed
US-20090325894-A1 TETRACYCLIC ANTHRAQUINONES POSSESSING ANTI-CANCER PROPERTIES ZHANG HESHENG 2009-12-31 US disclosed
EP-2123283-A1 THE TETRACYCLIC ANTHRAQUINONES POSSESSING ANTI-CANCER EFFECT Tianjin Hemey Bio-Tech Co., Ltd. (CN) 2009-11-25 EP 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 (2 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-20090325894-A1 TETRACYCLIC ANTHRAQUINONES POSSESSING ANTI-CANCER PROPERTIES GLS2, GLS, VIP NPY1R 1710/4885NPY4R 1919/4885CA12 353/4885
US-20120308646-A1 TETRACYCLIC ANTHRAQUINONES POSSESSING ANTI-CANCER PROPERTIES ALAD, SLC27A2, ANTXR2 NPY1R 2155/4885NPY4R 2491/4885CA12 988/4885

“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.