Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL16718052

CCC(=O)NNC.O=C(O)C(F)(F)F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
KDM5C P41229 1/20 0.45
EGLN1 Q9GZT9 1/20 0.45
PHF8 Q9UPP1 1/20 0.45
KDM2A Q9Y2K7 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 3/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
PKM P14618 1/20 0.32
FFAR3 O14843 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
NCOR2 Q9Y618 1/20 0.31
CHIT1 Q13231 1/20 0.31
FUCA1 P04066 1/20 0.31
EPHX1 P07099 1/20 0.31

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
SCHEMBL2242250 0.83
Trifluoroacetic Acid SCHEMBL28148714 0.82 MEN1 (0.36) MEN1KMT2AFFAR3CHIT1FUCA1
Hydrochloric Acid SCHEMBL2227956 0.81
Hydrochloric Acid SCHEMBL15414360 0.81
Trifluoroacetic Acid SCHEMBL28048228 0.80 KDM4E (0.48) KDM4EKDM5CEGLN1PHF8KDM2A
Trifluoroacetic Acid SCHEMBL7105511 0.76 CTSD (0.44) KDM4EKDM5CPHF8KDM2AMEN1
Trifluoroacetic Acid SCHEMBL3272755 0.75 KDM4E (0.34) KDM4EKDM5CEGLN1PHF8KDM2A
Trifluoroacetic Acid SCHEMBL29019087 0.74 FUCA1 (0.39) SMN1; SMN2MEN1KMT2AALDH1A1FFAR3
Trifluoroacetic Acid SCHEMBL4485807 0.73 FFAR3 (0.62) MEN1KMT2AALDH1A1FFAR3HDAC3
Trifluoroacetic Acid SCHEMBL20527475 0.73 FFAR3 (0.62) MEN1KMT2AALDH1A1FFAR3HDAC3

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
CN-104470940-B The purposes of 2- oxos -2,3,4,5- tetrahydrochysene -1H- benzos [b] [Isosorbide-5-Nitrae] diaza * and its treating cancer 霍夫曼-拉罗奇有限公司 2018-10-16 CN disclosed
EP-3071562-A1 TETRAHYDRO-BENZODIAZEPINONES F. Hoffmann-La Roche AG (CH) 2016-09-28 EP disclosed
US-9422331-B2 2-oxo-2,3,4,5-tetrahydro-1 H-benzo[B]diazepines and their use in the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2016-08-23 US disclosed
US-20150225449-A1 2-OXO-2,3,4,5-TETRAHYDRO-1 H-BENZO[B]DIAZEPINES AND THEIR USE IN THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. 2015-08-13 US disclosed
WO-2015071393-A1 TETRAHYDRO-BENZODIAZEPINONES F. HOFFMANN-LA ROCHE AG (CH) 2015-05-21 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-20150225449-A1 2-OXO-2,3,4,5-TETRAHYDRO-1 H-BENZO[B]DIAZEPINES AND THEIR USE IN THE TREATMENT OF CANCER H1-5, HRH2, TOP2B KDM4E 963/4885KDM5C 514/4885EGLN1 407/4885

“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.