Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL20945171

NNC(=O)c1ccc(N2C(=O)C=CC2=O)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DDAH1 O94760 1/20 0.54
▸ AOC2 O75106 1/20 0.46
▸ HSP90AA1 P07900 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ HPGD P15428 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ CACNA1B Q00975 1/20 0.46
▸ APBA1 Q02410 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.45
▸ MGLL Q99685 7/20 0.44
▸ FAAH O00519 3/20 0.44
▸ PKM P14618 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ MPO P05164 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ KDM5A P29375 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ GFER P55789 1/20 0.42

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
SCHEMBL3339259 0.89 DDAH1 (0.61) DDAH1AOC2HSP90AA1ALDH1A1NPSR1
Hydrochloric Acid SCHEMBL17969213 0.88 DDAH1 (0.59) DDAH1AOC2HSP90AA1ALDH1A1NPSR1
SCHEMBL12834399 0.78 DDAH1 (0.51) DDAH1HSP90AA1ALDH1A1NPSR1TDP1
Trifluoroacetic Acid SCHEMBL27664698 0.76 PLOD2 (0.53) ALDH1A1KDM4EMPOCYP3A4KDM5A
Benzoic Acid Hydrazide SCHEMBL5591378 0.76 CES1 (0.52) AOC2ALDH1A1KDM4EMPOCYP3A4
Trifluoroacetic Acid SCHEMBL18261423 0.75 HSP90AA1 (0.43) DDAH1HSP90AA1ALDH1A1NPSR1TDP1
SCHEMBL10968265 0.74 DDAH1 (0.63) DDAH1HSP90AA1ALDH1A1NPSR1TDP1
SCHEMBL28901118 0.74 DDAH1 (0.59) DDAH1HSP90AA1ALDH1A1NPSR1TDP1
SCHEMBL17235983 0.73 CYP1A2 (0.57) DDAH1HSP90AA1ALDH1A1NPSR1TDP1
SCHEMBL14000501 0.73 DDAH1 (0.61) DDAH1HSP90AA1ALDH1A1NPSR1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210002222-A1 AMINOBENZOIC ACID DERIVATIVES FOR USE AS ANTI-INFLAMMATORY AGENTS, ANTI-METASTATIC AGENTS AND/OR ANTICANCER AGENTS 3R VALO, S.E.C. (CA) 2021-01-07 — — US disclosed
EP-3442943-B1 AMINOBENZOIC ACID DERIVATIVES FOR USE AS ANTI-INFLAMMATORY AGENTS, ANTI-METASTATIC AGENTS AND/OR ANTICANCER AGENTS 3R VALO S E C (CA) 2020-10-07 — — EP disclosed
US-10759754-B2 Aminobenzoic acid derivatives for use as anti-inflammatory agents, anti-metastatic agents and/or anticancer agents 3R VALO, S.E.C. (CA) 2020-09-01 — — US disclosed
US-20190127325-A1 AMINOBENZOIC ACID DERIVATIVES FOR USE AS ANTI-INFLAMMATORY AGENTS, ANTI-METASTATIC AGENTS AND/OR ANTICANCER AGENTS UNIVERSITÉ DU QUÉBEC À TROIS-RIVIÈRES (CA) 2019-05-02 — — 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 (3 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-20210002222-A1 AMINOBENZOIC ACID DERIVATIVES FOR USE AS ANTI-INFLAMMATORY AGENTS, ANTI-METASTATIC AGENTS AND/OR ANTICANCER AGENTS NFKBIA, NFKB1, NFRKB DDAH1 1457/4885AOC2 2224/4885HSP90AA1 510/4885
US-20190127325-A1 AMINOBENZOIC ACID DERIVATIVES FOR USE AS ANTI-INFLAMMATORY AGENTS, ANTI-METASTATIC AGENTS AND/OR ANTICANCER AGENTS NFKBIA, NFKB1, NFRKB DDAH1 1457/4885AOC2 2224/4885HSP90AA1 510/4885
US-10759754-B2 Aminobenzoic acid derivatives for use as anti-inflammatory agents, anti-metastatic agents and/or anticancer agents NFKBIA, NFKB1, NFRKB DDAH1 1457/4885AOC2 2224/4885HSP90AA1 510/4885

“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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