Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL720167

COc1ccc2cc3c(cc2n1)CCNCC3.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.39
PKM P14618 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HPGDS O60760 1/20 0.34
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HRH4 Q9H3N8 1/20 0.34

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
SCHEMBL719733 0.87 HTR2C (0.42) MTNR1AMTNR1BHTR2AHTR2CHTR2B
Trifluoroacetic Acid SCHEMBL719124 0.84 PTPN1 (0.40) KDM1A
Trifluoroacetic Acid SCHEMBL719514 0.83 PKM (0.38) KDM1APKMHPGDSHTR2AHTR2C
Trifluoroacetic Acid SCHEMBL719783 0.81 KDM1A (0.39) KDM1AHTR2AHTR2CHTR2B
SCHEMBL720478 0.70 DRD1 (0.45) PRMT5WDR77
Trifluoroacetic Acid SCHEMBL722169 0.69 AR (0.38) KDM1A
Trifluoroacetic Acid SCHEMBL718879 0.69 PDGFRB (0.36) KDM1AHTR2BHRH4
Trifluoroacetic Acid SCHEMBL722173 0.68 ALDH1A1 (0.40) KDM1AHTR2AHTR2CHTR2BHRH4
SCHEMBL718663 0.68 CYP1A2 (0.46) POLBHTR2AHTR2CHTR2B
Trifluoroacetic Acid SCHEMBL5451230 0.67 HTR2C (0.61) KDM1AHTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120053168-A1 FUSED BENZOAZEPINES AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS TARGACEPT, INC. (US) 2012-03-01 US disclosed
WO-2010096384-A2 FUSED BENZAZEPINES AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS TARGACEPT, INC. (US) 2010-08-26 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-20120053168-A1 FUSED BENZOAZEPINES AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA2, CHRNA5, CHRNA10 KDM1A 2596/4885PKM 3295/4885MTNR1A 443/4885

“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.