Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4368603

CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)N1CCC[C@H]1C(=O)O)C(C)C)C(C)(C)C)C(C)(C)c1cc(C)cc(C)c1.O=C(O)C(F)(F)F

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 2/20 0.52
▸ ACE P12821 1/20 0.33
▸ CMA1 P23946 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ STAT6 P42226 2/20 0.31
▸ STAT5A P42229 1/20 0.31
▸ STAT5B P51692 1/20 0.31
▸ F2 P00734 1/20 0.31
▸ F10 P00742 1/20 0.31
▸ PRSS1 P07477 1/20 0.31
▸ PRSS2 P07478 1/20 0.31
▸ PRSS3 P35030 1/20 0.31
▸ BIRC2 Q13490 5/20 0.30
▸ XIAP P98170 2/20 0.30
▸ ELANE P08246 1/20 0.30
▸ BIRC3 Q13489 1/20 0.30

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 SCHEMBL4368615 1.00 TUBB1 (0.52) TUBB1ACECMA1ALDH1A1HPGD
SCHEMBL4371827 0.96 TUBB1 (0.55) TUBB1ALDH1A1HPGDSTAT6BIRC2
Trifluoroacetic Acid SCHEMBL4852413 0.94 TUBB1 (0.51) TUBB1ACECMA1STAT6STAT5A
Trifluoroacetic Acid SCHEMBL4852391 0.94 TUBB1 (0.51) TUBB1ACECMA1STAT6STAT5A
Trifluoroacetic Acid SCHEMBL4539290 0.93 TUBB1 (0.53) TUBB1ACECMA1STAT6STAT5A
Trifluoroacetic Acid SCHEMBL4539273 0.93 TUBB1 (0.53) TUBB1ACECMA1STAT6STAT5A
SCHEMBL4371716 0.90 TUBB1 (0.54) TUBB1ALDH1A1STAT6STAT5ASTAT5B
Trifluoroacetic Acid SCHEMBL4375112 0.90 TUBB1 (0.51) TUBB1ACECMA1STAT6STAT5A
Trifluoroacetic Acid SCHEMBL4375100 0.90 TUBB1 (0.51) TUBB1ACECMA1STAT6STAT5A
SCHEMBL4368608 0.89 TUBB1 (0.50) TUBB1ALDH1A1BIRC2XIAPBIRC3

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-7626023-B2 Compounds for treating tumors WYETH (US) 2009-12-01 — — US disclosed
US-20080221181-A1 COMPOUNDS FOR TREATING TUMORS WYETH HOLDINGS CORPORATION (US) 2008-09-11 — — US disclosed
US-7390910-B2 Compounds for treating tumors WYETH (US) 2008-06-24 — — US disclosed
WO-2005016958-A2 COMPOUNDS FOR TREATING TUMORS WYETH HOLDINGS CORPORATION (US) 2005-02-24 — — WO disclosed
US-20050037977-A1 Compounds for treating tumors WYETH HOLDINGS CORPORATION (US) 2005-02-17 — — 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 (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-20080221181-A1 COMPOUNDS FOR TREATING TUMORS RB1, MRPL9, BCOR TUBB1 588/4885ACE 3759/4885CMA1 2238/4885
US-20050037977-A1 Compounds for treating tumors RB1, MRPL9, BCOR TUBB1 588/4885ACE 3759/4885CMA1 2238/4885

“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.

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