Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL29424806

NC(=O)c1ccc2ncn(Cc3ccc(B(O)O)cc3)c2c1.O=C(O)C(F)(F)F

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ QPCT Q16769 2/20 0.42
▸ MMP13 P45452 1/20 0.41
▸ BRD4 O60885 2/20 0.41
▸ F2 P00734 1/20 0.40
▸ F10 P00742 1/20 0.40
▸ PRSS1 P07477 1/20 0.40
▸ CYP11B1 P15538 2/20 0.40
▸ CYP11B2 P19099 2/20 0.40
▸ TNF P01375 1/20 0.40
▸ FLT3 P36888 1/20 0.39
▸ PDE5A O76074 1/20 0.39
▸ GRM2 Q14416 1/20 0.38
▸ CDK9 P50750 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ PABPC1 P11940 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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 SCHEMBL22533911 1.00 HDAC1 (0.44) HDAC1HDAC6QPCTMMP13BRD4
SCHEMBL27441300 0.92 HDAC1 (0.50) HDAC1HDAC6MMP13BRD4F2
Trifluoroacetic Acid SCHEMBL22533966 0.92 HDAC1 (0.44) HDAC1HDAC6QPCTMMP13F10
Trifluoroacetic Acid SCHEMBL22533411 0.92 MEN1 (0.44) HDAC1HDAC6QPCTMMP13BRD4
Trifluoroacetic Acid SCHEMBL22533899 0.87 BRD4 (0.54) HDAC1HDAC6MMP13BRD4CYP11B2
Trifluoroacetic Acid SCHEMBL29424853 0.87 BRD4 (0.54) HDAC1HDAC6MMP13BRD4CYP11B2
SCHEMBL22533914 0.86 HDAC1 (0.43) HDAC1HDAC6QPCTMMP13BRD4
SCHEMBL26373986 0.84 MEN1 (0.49) HDAC1HDAC6MMP13BRD4CYP11B1
SCHEMBL31298244 0.84 MEN1 (0.49) HDAC1HDAC6MMP13BRD4CYP11B1
SCHEMBL27442458 0.84 HDAC1 (0.48) HDAC1HDAC6MMP13BRD4F2

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-20250041319-A1 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC 2025-02-06 — — US disclosed
US-12029744-B2 Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors RIBOSCIENCE LLC (US) 2024-07-09 — — US disclosed
EP-4249070-A2 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS Riboscience LLC (US) 2023-09-27 — — EP disclosed
US-20220362266-A1 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC 2022-11-17 — — US disclosed
CN-114040915-A Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors 里伯赛恩斯有限责任公司 2022-02-11 — — CN 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-20250041319-A1 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS ENPP1, ENPP3, SMPD1 HDAC1 661/4885HDAC6 982/4885QPCT 877/4885
US-12029744-B2 Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors ENPP1, ENPP3, SMPD1 HDAC1 697/4885HDAC6 1045/4885QPCT 840/4885
US-20220362266-A1 BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS ENPP1, ENPP3, SMPD1 HDAC1 697/4885HDAC6 1045/4885QPCT 840/4885

“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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