Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4552929

NN=Cc1cccc(CN2CC=C(C(N)=O)C2=O)c1.O=C(O)C(F)(F)F

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.35
PARP1 P09874 2/20 0.34
PLA2G1B P04054 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
RECQL P46063 2/20 0.33
KMT2A Q03164 2/20 0.33
NLRP3 Q96P20 2/20 0.32
KDM4E B2RXH2 2/20 0.32
HDAC3 O15379 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
NCOR2 Q9Y618 2/20 0.32
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
HRH2 P25021 3/20 0.31
GPR6 P46095 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
TDP1 Q9NUW8 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
Trifluoroacetic Acid SCHEMBL2817452 0.81 F10 (0.46)
Trifluoroacetic Acid SCHEMBL7422047 0.79 HDAC3 (0.34) ATMRECQLKMT2ANLRP3KDM4E
Trifluoroacetic Acid SCHEMBL7423282 0.78 HRH2 (0.35) KMT2AHRH2GPR6
Trifluoroacetic Acid SCHEMBL2329902 0.78 F10 (0.35) KMT2AHDAC8HRH2GPR6
Trifluoroacetic Acid SCHEMBL7421271 0.78 F10 (0.35) KMT2AHDAC8HRH2GPR6
Trifluoroacetic Acid SCHEMBL7419576 0.78 DPP4 (0.39) KMT2AHDAC3HDAC2HDAC8NCOR2
Trifluoroacetic Acid SCHEMBL8834439 0.78 F10 (0.35) KMT2AHDAC8HRH2GPR6
Trifluoroacetic Acid SCHEMBL7423939 0.76 OPRD1 (0.36) KMT2AHRH2
Trifluoroacetic Acid SCHEMBL7423834 0.76 ALDH1A1 (0.37) ATMKMT2ANLRP3ALDH1A1CYP3A4
Trifluoroacetic Acid SCHEMBL7421816 0.75 NPY1R (0.38) KMT2AHRH2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090186834-A1 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS MICROBIA, INC. (US) 2009-07-23 US disclosed
US-20090005321-A1 Phenylazetidinone Derivatives MICROBIA, INC. (US) 2009-01-01 US disclosed
WO-2006102674-A2 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS MICROBIA, INC. (US) 2006-09-28 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-20090186834-A1 DIPHENYLHETEROCYCLE CHOLESTEROL ABSORPTION INHIBITORS NPC1L1, CYP46A1, NPC1 ATM 4804/4885PARP1 4714/4885PLA2G1B 2532/4885
US-20090005321-A1 Phenylazetidinone Derivatives TYR, AAAS, FANCD2 ATM 4204/4885PARP1 524/4885PLA2G1B 3345/4885

“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.