Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL21492053

NCc1cnn(Cc2cnc(Cl)c(F)c2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 10/20 0.37
HSD17B10 Q99714 1/20 0.36
POLB P06746 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
SCD5 Q86SK9 3/20 0.35
BRD4 O60885 1/20 0.35
SCD O00767 3/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 1/20 0.34
KLK1 P06870 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL21503350 0.89 MAPT (0.39) KLKB1HSD17B10POLBL3MBTL1ALDH1A1
SCHEMBL30057390 0.89 MAPT (0.39) KLKB1HSD17B10POLBL3MBTL1ALDH1A1
Trifluoroacetic Acid SCHEMBL21492529 0.86 KLKB1 (0.39) KLKB1POLBBRD4ALDH1A1KLK1
Trifluoroacetic Acid SCHEMBL28523073 0.82 SCD5 (0.42) SCD5SCDALDH1A1RAB9ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL21492824 0.79 DPP4 (0.37) KLKB1BRD4KLK1SMN1; SMN2
Hydrochloric Acid SCHEMBL21491678 0.76 KLKB1 (0.39) KLKB1
Trifluoroacetic Acid SCHEMBL21491995 0.74 CPB1 (0.37) KLKB1HSD17B10BRD4ALDH1A1KDM4E
SCHEMBL21503615 0.74 GABRA1 (0.37) KLKB1POLBALDH1A1KLK1
Trifluoroacetic Acid SCHEMBL21491685 0.73 HSD17B10 (0.38) KLKB1HSD17B10POLBL3MBTL1TDP1
Trifluoroacetic Acid SCHEMBL21491813 0.73 L3MBTL1 (0.46) KLKB1HSD17B10POLBL3MBTL1KLK1

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 KLKB1 630/4885HSD17B10 1245/4885POLB 300/4885
US-11059826-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP KLKB1 630/4885HSD17B10 1245/4885POLB 300/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP KLKB1 630/4885HSD17B10 1245/4885POLB 300/4885

“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.