Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL21492824

COc1cc(Cn2cc(CN)cn2)cnc1F.O=C(O)C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
KLKB1 P03952 10/20 0.35
RIPK1 Q13546 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BRD4 O60885 1/20 0.33
ALKBH1 Q13686 1/20 0.33
KAT7 O95251 1/20 0.33
KAT6B Q8WYB5 1/20 0.33
KAT6A Q92794 1/20 0.33
KAT5 Q92993 1/20 0.33
KAT8 Q9H7Z6 1/20 0.33
KLK1 P06870 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
SCHEMBL30059217 0.90 MEN1 (0.38) LOXL2KLKB1SMN1; SMN2KAT7KAT6B
SCHEMBL21503599 0.90 MEN1 (0.38) LOXL2KLKB1SMN1; SMN2KAT7KAT6B
Hydrochloric Acid SCHEMBL21492026 0.89 MEN1 (0.37) DPP4LOXL2KLKB1SMN1; SMN2KAT7
Hydrochloric Acid SCHEMBL30744446 0.89 MEN1 (0.37) DPP4LOXL2KLKB1SMN1; SMN2KAT7
Trifluoroacetic Acid SCHEMBL28530866 0.84 SMN1; SMN2 (0.42) RIPK1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL21492529 0.81 KLKB1 (0.39) KLKB1BRD4KLK1
Trifluoroacetic Acid SCHEMBL21492053 0.79 KLKB1 (0.37) KLKB1SMN1; SMN2BRD4KLK1
Hydrochloric Acid SCHEMBL21491964 0.79 KLKB1 (0.36) KLKB1RIPK1KAT7KAT6BKAT6A
Trifluoroacetic Acid SCHEMBL21491995 0.74 CPB1 (0.37) KLKB1BRD4KLK1
Trifluoroacetic Acid SCHEMBL21491813 0.73 L3MBTL1 (0.46) KLKB1KLK1

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
EP-3784669-B1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMA (US) 2023-10-25 EP disclosed
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 US disclosed
US-11059826-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-07-13 US disclosed
EP-3784669-A1 PTERIDINONE COMPOUNDS AND USES THEREOF Vertex Pharmaceuticals Incorporated (US) 2021-03-03 EP disclosed
US-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2019-10-24 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-20190322673-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP DPP4 3183/4885LOXL2 3853/4885KLKB1 630/4885
US-11059826-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP DPP4 3183/4885LOXL2 3853/4885KLKB1 630/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP DPP4 3183/4885LOXL2 3853/4885KLKB1 630/4885

“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.