Sugi Predict

Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4245210

Nc1ncc(CCc2ccccc2)c(=O)[nH]1.O=C(O)C(F)(F)F

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 1/20 0.44
▸ DAO P14920 2/20 0.43
▸ RNASEH1 O60930 1/20 0.40
▸ DHFR P00374 1/20 0.40
▸ BACE1 P56817 2/20 0.40
▸ KDM6B O15054 1/20 0.39
▸ KDM4A O75164 1/20 0.39
▸ KDM4D Q6B0I6 1/20 0.39
▸ KDM3B Q7LBC6 1/20 0.39
▸ HIF1AN Q9NWT6 1/20 0.39
▸ KDM5B Q9UGL1 1/20 0.39
▸ KDM2A Q9Y2K7 1/20 0.39
▸ AKR1B1 P15121 4/20 0.39
▸ PNP P00491 2/20 0.38
▸ MMP2 P08253 1/20 0.37
▸ S1PR4 O95977 1/20 0.37
▸ S1PR1 P21453 1/20 0.37
▸ S1PR3 Q99500 1/20 0.37
▸ S1PR5 Q9H228 1/20 0.37

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
SCHEMBL4245709 0.89 AOC3 (0.54) AOC3DAODHFRBACE1PNP
Trifluoroacetic Acid SCHEMBL4242083 0.81 BACE1 (0.52) BACE1
SCHEMBL7708037 0.81 AOC3 (0.51) AOC3DAODHFR
SCHEMBL11542383 0.76 AOC3 (0.60) AOC3PNP
SCHEMBL7716580 0.75 DAO (0.50) AOC3DAO
Trifluoroacetic Acid SCHEMBL4245992 0.75 BACE1 (0.46) BACE1
SCHEMBL7716692 0.72 QTRT1 (0.52) DAO
SCHEMBL7714577 0.72 PLA2G7 (0.48) DAO
Trifluoroacetic Acid SCHEMBL20262609 0.72 FFAR1 (0.59) —
SCHEMBL4211345 0.71 TK1 (0.36) AOC3AKR1B1PNP

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215801-A9 Novel 2-Aminopyrimidinone Derivatives And Their Use ASTRAZENECA AB, SODERTAIJE, SWEDENASTEX THEREAPEUTICS LTD (GB) 2009-08-27 — — US claimed
US-20080255164-A1 Novel 2-Aminopyrimidinone Derivatives And Their Use ASTRAZENECA AB (SE) 2008-10-16 — — US claimed
US-20090215801-A9 Novel 2-Aminopyrimidinone Derivatives And Their Use ASTRAZENECA AB, SODERTAIJE, SWEDENASTEX THEREAPEUTICS LTD (GB) 2009-08-27 — — US disclosed
US-20080255164-A1 Novel 2-Aminopyrimidinone Derivatives And Their Use ASTRAZENECA AB (SE) 2008-10-16 — — US disclosed
EP-1951680-A1 NOVEL 2-AMINOPYRIMIDINONE DERIVATIVES AND THEIR USE Astra Zeneca AB (SE) 2008-08-06 — — EP disclosed
WO-2007058580-A1 NOVEL 2-AMINOPYRIMIDINONE DERIVATIVES AND THEIR USE ASTRAZENECA AB (SE) 2007-05-24 — — 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 (2 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-20090215801-A9 Novel 2-Aminopyrimidinone Derivatives And Their Use PSEN2, PSEN1, MAPT AOC3 1561/4885DAO 423/4885RNASEH1 4669/4885
US-20080255164-A1 Novel 2-Aminopyrimidinone Derivatives And Their Use PSEN2, PSEN1, MAPT AOC3 1561/4885DAO 423/4885RNASEH1 4669/4885

“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.