Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1121547

O=C(O)C(F)(F)F.OCC(O)COc1ccc2oc(NC3CCNCC3)nc2c1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.42
HRH4 Q9H3N8 2/20 0.42
HRH3 Q9Y5N1 2/20 0.42
SSTR5 P35346 4/20 0.40
KCNH2 Q12809 1/20 0.39
SSTR1 P30872 1/20 0.38
MET P08581 5/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
P2RY12 Q9H244 1/20 0.38
KDR P35968 1/20 0.37
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
FAAH O00519 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35

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
SCHEMBL4594345 0.93 HDAC6 (0.43) HDAC6SSTR5KCNH2SSTR1PDE3B
SCHEMBL1121548 0.89 HDAC6 (0.39) HDAC6HRH4HRH3SSTR5KCNH2
Trifluoroacetic Acid SCHEMBL1121645 0.81 HRH4 (0.42) HRH4HRH3MET
SCHEMBL1121777 0.78 HDAC6 (0.46) HDAC6SSTR5KCNH2SSTR1KDR
Hydrochloric Acid SCHEMBL1121926 0.78 TLR7 (0.43) HDAC6SSTR5KCNH2SSTR1KDR
SCHEMBL1121582 0.78 HDAC6 (0.45) HDAC6SSTR5KCNH2SSTR1KDR
Hydrochloric Acid SCHEMBL1121509 0.77 TLR7 (0.43) HDAC6SSTR5KCNH2SSTR1PDE3B
SCHEMBL13543032 0.77 SSTR5 (0.54) HDAC6SSTR5PIM1PIM2FAAH
SCHEMBL1121592 0.76 HDAC6 (0.42) HDAC6SSTR5KCNH2SSTR1KDR
Bromide SCHEMBL3568591 0.76 SSTR5 (0.53) HDAC6SSTR5PIM1PIM2FAAH

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
EP-1924579-B1 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-02-09 EP disclosed
US-20090163517-A1 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES BINGGELI ALFRED 2009-06-25 US disclosed
EP-1924579-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
US-20070093521-A1 Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-04-26 US disclosed
WO-2007025897-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 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-20090163517-A1 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES SSTR5, NPY5R, NPY1R HDAC6 1473/4885HRH4 299/4885HRH3 496/4885
US-20070093521-A1 Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives SSTR5, NPY5R, NPY1R HDAC6 1473/4885HRH4 299/4885HRH3 496/4885

“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.