Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL16616166

O=C(O)C(F)(F)F.O=C(c1ccc2[nH]nnc2c1)N1CCC2(CCCNC2)C1

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 9/20 0.49
HSD17B10 Q99714 1/20 0.45
L3MBTL3 Q96JM7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ENPP2 Q13822 5/20 0.44
ATXN2 Q99700 5/20 0.44
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 2/20 0.43
USP2 O75604 1/20 0.43
KDM1A O60341 2/20 0.41

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
Hydrochloric Acid SCHEMBL16616079 0.87 L3MBTL3 (0.52) NAMPTL3MBTL3L3MBTL1ENPP2ATXN2
SCHEMBL18315578 0.81 ENPP2 (0.51) HSD17B10ENPP2ATXN2ALDH1A1CYP3A4
SCHEMBL18315524 0.81 ENPP2 (0.51) HSD17B10ENPP2ATXN2ALDH1A1CYP3A4
SCHEMBL18315513 0.81 ENPP2 (0.54) ENPP2ATXN2
SCHEMBL18315520 0.79 ENPP2 (0.54) ENPP2ATXN2
SCHEMBL18315519 0.79 ENPP2 (0.54) ENPP2ATXN2
SCHEMBL18315562 0.79 ENPP2 (0.51) ENPP2ATXN2
SCHEMBL18315573 0.79 ENPP2 (0.51) ENPP2ATXN2
SCHEMBL31581084 0.77 NAMPT (0.51) NAMPTHSD17B10L3MBTL3L3MBTL1ALDH1A1
SCHEMBL18421944 0.77 ENPP2 (0.47) ENPP2ATXN2

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 NAMPT 723/4885HSD17B10 3129/4885L3MBTL3 4548/4885
US-10633384-B2 Diazaspirocycloalkane and azaspirocycloalkane ENPP2, DAPK1, DAPK2 NAMPT 405/4885HSD17B10 3176/4885L3MBTL3 4397/4885
US-20150099734-A1 NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE DAPK2, DAPK1, IDH3A NAMPT 2223/4885HSD17B10 1238/4885L3MBTL3 4537/4885

“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.