Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1272294

CCO[C@@H]1C[C@@H]2CN(C(=O)[C@@H](NC(=O)[C@H](CO)NC)C3CCCCC3)[C@H](C(=O)N[C@@H]3CCOc4ccccc43)CN2C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
XIAP P98170 20/20 0.70
BIRC2 Q13490 14/20 0.70
BIRC3 Q13489 7/20 0.70

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
SCHEMBL12874578 0.96 XIAP (0.74) XIAPBIRC2BIRC3
SCHEMBL1272461 0.91 XIAP (0.78) XIAPBIRC2BIRC3
Trifluoroacetic Acid SCHEMBL1273079 0.91 XIAP (0.71) XIAPBIRC2BIRC3
SCHEMBL1273136 0.90 XIAP (0.87) XIAPBIRC2BIRC3
SCHEMBL12874948 0.89 XIAP (0.77) XIAPBIRC2BIRC3
Trifluoroacetic Acid SCHEMBL1273542 0.88 XIAP (0.70) XIAPBIRC2BIRC3
SCHEMBL1273313 0.88 XIAP (0.86) XIAPBIRC2BIRC3
SCHEMBL1164412 0.88 XIAP (0.86) XIAPBIRC2BIRC3
SCHEMBL1272987 0.88 XIAP (0.72) XIAPBIRC2BIRC3
SCHEMBL1272986 0.88 XIAP (0.72) XIAPBIRC2BIRC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110034469-A1 Heterocyclic Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-10 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-20110034469-A1 Heterocyclic Compound BIRC5, XIAP, BIRC2 XIAP 2/4885BIRC2 3/4885BIRC3 7/4885

“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.