Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4841832

O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.OC(COc1ccc(-c2nc3cc(Br)cnc3[nH]2)cc1)CN1CCN(O)CC1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.38
SCN1A P35498 2/20 0.38
SCN5A Q14524 2/20 0.38
SCN9A Q15858 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 1/20 0.38
USP2 O75604 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
HTT P42858 2/20 0.38
PKM P14618 1/20 0.38
LMNA P02545 1/20 0.38
ALOX15 P16050 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL4835082 0.93 NPSR1 (0.45) NPSR1MAPTALDH1A1L3MBTL1USP2
Trifluoroacetic Acid SCHEMBL4844160 0.92 ALDH1A1 (0.49) NPSR1MAPTALDH1A1SCN1ASCN5A
Trifluoroacetic Acid SCHEMBL4842213 0.91 POLB (0.48) NPSR1MAPTL3MBTL1POLBUSP2
Trifluoroacetic Acid SCHEMBL4844675 0.91 HTR7 (0.49) MAPTALDH1A1L3MBTL1SMN1; SMN2MAPK1
Trifluoroacetic Acid SCHEMBL4839418 0.91 SCN1A (0.42) NPSR1SCN1ASCN5ASCN9AUSP2
Trifluoroacetic Acid SCHEMBL4843551 0.90 ALDH1A1 (0.40) NPSR1MAPTALDH1A1SCN1ASCN5A
Trifluoroacetic Acid SCHEMBL4842369 0.89 SCN1A (0.41) SCN1ASCN5ASCN9A
Trifluoroacetic Acid SCHEMBL4841950 0.88 SCN1A (0.44) SCN1ASCN5ASCN9A
Trifluoroacetic Acid SCHEMBL5258064 0.88 KDM4E (0.55) NPSR1MAPTALDH1A1POLBUSP2
Trifluoroacetic Acid SCHEMBL4843969 0.88 NPSR1 (0.44) NPSR1MAPTUSP2SMN1; SMN2MAPK1

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-7410966-B2 Use of and some novel imidazopyridines ASTRAZENECA AB (SE) 2008-08-12 US disclosed
EP-1539759-B1 NOVEL IMIDAZOPYRIDINES AND THEIR USE ASTRAZENECA AB (SE) 2007-08-15 EP disclosed
US-20050261333-A1 Use of and some novel imidazopyridines ASTRAZENECA A B (SE) 2005-11-24 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 (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-20050261333-A1 Use of and some novel imidazopyridines ITK, CSNK1A1, RPS6KA1 NPSR1 1799/4885MAPT 3669/4885ALDH1A1 1489/4885

“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.