Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4233240

O=C(O)C(F)(F)F.O=C(c1ccc2c(c1)CNC2)N1CCOCC1

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.49
PKM P14618 1/20 0.49
HSP90AA1 P07900 2/20 0.47
HSP90AB1 P08238 2/20 0.47
HPGD P15428 4/20 0.47
PHGDH O43175 1/20 0.46
EPHX2 P34913 1/20 0.44
TSHR P16473 1/20 0.44
MYC P01106 1/20 0.44
CNR1 P21554 1/20 0.44
KMT2A Q03164 3/20 0.43
GLA P06280 1/20 0.43
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
POLB P06746 1/20 0.43
DNMT1 P26358 1/20 0.43
PTPN7 P35236 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL1075956 0.81 PKM (0.52) PKMHSP90AA1HSP90AB1HPGDPHGDH
SCHEMBL4437356 0.81 F10 (0.53) PKMHSP90AA1HSP90AB1HPGDPHGDH
SCHEMBL10268891 0.77 SIGMAR1 (0.56) HPGD
Hydrochloric Acid SCHEMBL4237529 0.77 HPGD (0.55) HPGDTSHRL3MBTL1
Trifluoroacetic Acid SCHEMBL383473 0.77 KCNJ1 (0.56) HPGDTSHR
SCHEMBL10268893 0.76 KMT2A (0.59) HPGDTSHRKMT2APOLB
Trifluoroacetic Acid SCHEMBL383551 0.72 NOTUM (0.47) HPGDTSHRKMT2AGLAPDK2
Trifluoroacetic Acid SCHEMBL3877058 0.72 ALDH1A1 (0.48) HPGDTSHRKMT2AL3MBTL1
SCHEMBL4233243 0.71 MLYCD (0.43) MLYCDPKMHSP90AA1HSP90AB1HPGD
SCHEMBL10720943 0.71 PHGDH (0.81) MLYCDPKMHPGDPHGDHEPHX2

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-20090042862-A1 NOVEL COMPOUNDS BEST DESMOND JOHN 2009-02-12 US disclosed
US-7446103-B2 Bicyclic benzamide compound as histamine H3 receptor ligand useful in the treatment of neurological diseases GLAXO GROUP LIMITED (GB) 2008-11-04 US disclosed
US-20070105838-A1 Bicyclic Benzamide Compoundssa as Histamine H3 Receptor Ligand Useful in the Treatment of Neurological Diseases GLAXO GROUP LIMITED (GB) 2007-05-10 US disclosed
EP-1554243-B1 BICYCLIC BENZAMIDE COMPOUNDS AS HISTAMINE H3 RECEPTOR LIGAND USEFUL IN THE TREATMENT OF NEUROLOGICAL DISEASES GLAXO GROUP LTD (GB) 2006-11-22 EP disclosed
EP-1554243-A1 BICYCLIC BENZAMIDE COMPOUNDS AS HISTAMINE H3 RECEPTOR LIGAND USEFUL IN THE TREATMENT OF NEUROLOGICAL DISEASES GLAXO GROUP LIMITED (GB) 2005-07-20 EP disclosed
WO-2004037788-A1 BICYCLIC BENZAMIDE COMPOUNDS AS HISTAMINE H3 RECEPTOR LIGAND USEFUL IN THE TREATMENT OF NEUROLOGICAL DISEASES GLAXO GROUP LIMITED (GB) 2004-05-06 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-20070105838-A1 Bicyclic Benzamide Compoundssa as Histamine H3 Receptor Ligand Useful in the Treatment of Neurological Diseases HRH3, HRH4, HRH1 MLYCD 2281/4885PKM 3060/4885HSP90AA1 1077/4885
US-20090042862-A1 NOVEL COMPOUNDS GRIN2C, GRIN2A, GRIN2B MLYCD 374/4885PKM 1205/4885HSP90AA1 1851/4885

“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.