Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5355448

NCCNCC(=O)Nc1cccc(C(F)(F)F)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.58
HTT P42858 2/20 0.58
CHIT1 Q13231 1/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
MAPT P10636 4/20 0.55
GAA P10253 2/20 0.55
XBP1 P17861 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
ALDH1A1 P00352 3/20 0.55
HDAC3 O15379 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
NCOR2 Q9Y618 1/20 0.54
MPO P05164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL12020641 0.95 MAPT (0.60) L3MBTL1HTTMEN1KMT2AMAPT
SCHEMBL5355449 0.82 L3MBTL1 (0.64) L3MBTL1HTTMEN1KMT2AMAPT
SCHEMBL12526432 0.82 MAPT (0.67) L3MBTL1HTTMEN1KMT2AMAPT
SCHEMBL965053 0.79 MAPT (0.70) L3MBTL1HTTMEN1KMT2AMAPT
SCHEMBL21580306 0.78 HTT (0.76) L3MBTL1HTTMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL1358888 0.77 MAPT (0.68) L3MBTL1HTTMEN1KMT2AMAPT
SCHEMBL31236338 0.77 MAPT (0.77) L3MBTL1HTTMEN1KMT2AMAPT
SCHEMBL5142590 0.77 MAPT (0.77) L3MBTL1HTTMEN1KMT2AMAPT
SCHEMBL966420 0.76 SMN1; SMN2 (0.68) L3MBTL1HTTMEN1KMT2AMAPT
SCHEMBL3423702 0.76 MAPT (0.70) L3MBTL1HTTMEN1KMT2AMAPT

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-1660467-B1 2-(4-AMINO-1,2,5-OXADIAZOL-4-YL)-IMIDAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2011-12-07 EP disclosed
US-7157476-B2 Aminofurazan compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-01-02 US disclosed
EP-1660467-A2 AMINOFURAZAN COMPOUNDS AS PROTEIN KINASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2006-05-31 EP disclosed
US-20050148640-A1 Aminofurazan compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2005-07-07 US disclosed
WO-2005019190-A2 (4 -AMINO -1,2, 5-OXADIAZOL-4-YL) -HETΞROAROMATIC COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-03-03 WO 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 (1 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-20050148640-A1 Aminofurazan compounds useful as protein kinase inhibitors PHKG1, MAP3K20, MAP3K5 L3MBTL1 4005/4885HTT 1831/4885CHIT1 4594/4885

“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.