Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL16616663

NC1CC2(C1)CC(C(=O)Nc1ccc3[nH]nnc3c1)C2.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 12/20 0.41
ENPP2 Q13822 1/20 0.38
ATXN2 Q99700 1/20 0.38
PDPK1 O15530 3/20 0.36
SMYD3 Q9H7B4 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL18315551 0.81 ENPP2 (0.48) ULK1ENPP2ATXN2PDPK1POLB
SCHEMBL3734462 0.73 SMN1; SMN2 (0.46) L3MBTL1
SCHEMBL18315523 0.72 ENPP2 (0.49) ULK1ENPP2ATXN2PDPK1POLB
SCHEMBL142543 0.72 ULK1 (0.56) ULK1PDPK1POLBL3MBTL1
Trifluoroacetic Acid SCHEMBL16616200 0.69 ENPP2 (0.40) ENPP2ATXN2SMYD3L3MBTL1
SCHEMBL1156215 0.69 PEPD (0.42) PDPK1
Trifluoroacetic Acid SCHEMBL27736713 0.67 SMN1; SMN2 (0.44)
SCHEMBL1247686 0.66 ROCK2 (0.55) POLBMAOAMAOB
SCHEMBL6519579 0.66 TERT (0.48)
SCHEMBL9172845 0.65 ROCK2 (0.54) POLBMAOAMAOB

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-10633384-B2 Diazaspirocycloalkane and azaspirocycloalkane HOFFMANN-LA ROCHE INC. (US) 2020-04-28 US disclosed
US-20170029425-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE HOFFMANN-LA ROCHE INC. (US) 2017-02-02 US disclosed
EP-2861566-B1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE HOFFMANN LA ROCHE (CH) 2016-12-21 EP disclosed
US-9493486-B2 Diazaspirocycloalkane and azaspirocycloalkane HOFFMANN-LA ROCHES INC. (US) 2016-11-15 US disclosed
US-20150099734-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE HOFFMANN-LA ROCHE INC. (US) 2015-04-09 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-20170029425-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE ENPP2, DAPK1, DAPK2 ULK1 160/4885ENPP2 1/4885ATXN2 280/4885
US-10633384-B2 Diazaspirocycloalkane and azaspirocycloalkane ENPP2, DAPK1, DAPK2 ULK1 206/4885ENPP2 1/4885ATXN2 500/4885
US-20150099734-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE DAPK2, DAPK1, IDH3A ULK1 307/4885ENPP2 548/4885ATXN2 1079/4885

“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.