Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1121645

O=C(O)C(F)(F)F.OCC(O)COc1cccc2nc(NC3CCNCC3)oc12

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.42
HRH3 Q9Y5N1 2/20 0.42
RPS6KA2 Q15349 2/20 0.38
ELANE P08246 1/20 0.37
MET P08581 4/20 0.36
CYP1A2 P05177 4/20 0.36
CYP2C19 P33261 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK10 P53779 1/20 0.35
CACNA1B Q00975 1/20 0.35
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
FLT3 P36888 1/20 0.33
CDK4 P11802 1/20 0.33
CDK2 P24941 1/20 0.33
CDK5 Q00535 1/20 0.33

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
SCHEMBL1121692 0.93 CYP1A2 (0.42) RPS6KA2ELANECYP1A2CYP2C19MEN1
SCHEMBL1121646 0.89 RPS6KA2 (0.39) HRH4HRH3RPS6KA2ELANEMET
Trifluoroacetic Acid SCHEMBL1121547 0.81 HDAC6 (0.42) HRH4HRH3MET
Trifluoroacetic Acid SCHEMBL3570071 0.78 RPS6KA2 (0.41) HRH4HRH3RPS6KA2ELANEMET
SCHEMBL1121766 0.78 RPS6KA2 (0.45) RPS6KA2ELANECYP1A2CYP2C19KDM4E
SCHEMBL1121486 0.75 RPS6KA2 (0.43) RPS6KA2ELANECYP1A2CYP2C19HCRTR1
SCHEMBL1121458 0.73 RPS6KA2 (0.57) RPS6KA2ELANECYP1A2CYP2C19HCRTR1
SCHEMBL3577759 0.72 ELANE (0.49) RPS6KA2ELANECYP1A2CYP2C19KDM4E
SCHEMBL1121482 0.72 SSTR5 (0.66)
SCHEMBL4594345 0.72 HDAC6 (0.43)

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
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
US-20070093521-A1 Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-04-26 US 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 HRH4 299/4885HRH3 496/4885RPS6KA2 2549/4885
US-20070093521-A1 Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives SSTR5, NPY5R, NPY1R HRH4 299/4885HRH3 496/4885RPS6KA2 2549/4885

“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.