Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1246889

CC(C)c1nc(C(=O)N2CCOC3(CCNCC3)C2)cs1.O=C(O)C(F)(F)F

nearest known ligand 0.63

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Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 12/20 0.63
▸ CHRM3 P20309 12/20 0.63
▸ EPHX2 P34913 4/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ GFER P55789 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ JAK1 P23458 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
Trifluoroacetic Acid SCHEMBL2140552 1.00 CHRM2 (0.63) CHRM2CHRM3EPHX2KMT2AGFER
SCHEMBL1246736 0.93 CHRM2 (0.67) CHRM2CHRM3KMT2AGFERMEN1
Hydrochloric Acid SCHEMBL1246725 0.92 CHRM2 (0.66) CHRM2CHRM3KMT2AGFERMEN1
Hydrochloric Acid SCHEMBL16279442 0.92 CHRM2 (0.66) CHRM2CHRM3KMT2AGFERMEN1
Trifluoroacetic Acid SCHEMBL1246728 0.88 CHRM2 (0.58) CHRM2CHRM3EPHX2JAK1
Trifluoroacetic Acid SCHEMBL2142808 0.86 CHRM2 (0.46) CHRM2CHRM3KMT2AGFERMEN1
Trifluoroacetic Acid SCHEMBL2142876 0.86 CHRM2 (0.45) CHRM2CHRM3EPHX2JAK1
Trifluoroacetic Acid SCHEMBL1246666 0.85 CHRM2 (0.60) CHRM2CHRM3EPHX2JAK1
SCHEMBL1246663 0.83 CHRM2 (0.73) CHRM2CHRM3EPHX2KMT2AGFER
SCHEMBL10241694 0.81 CHRM2 (0.47) CHRM2CHRM3EPHX2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629271-B2 Compounds ASTRAZENECA AB (GB) 2014-01-14 — — US disclosed
US-8476265-B2 Compounds-801 ASTRAZENECA AB (SE) 2013-07-02 — — US disclosed
US-8455483-B2 Compounds—801 ASTRAZENECA AB (SE) 2013-06-04 — — US disclosed
US-20130018037-A1 Compounds - 801 ASTRAZENECA UK LIMITED (GB) 2013-01-17 — — US disclosed
US-20120322788-A1 Compouds PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2012-12-20 — — US disclosed
EP-2242759-B1 COMPOUNDS ASTRAZENECA AB (SE) 2012-09-12 — — EP disclosed
EP-2459572-A2 SPIROCYCLIC AMIDE DERIVATIVES AstraZeneca AB (SE) 2012-06-06 — — EP disclosed
US-8148373-B2 Compounds ASTRAZENECA AB (SE) 2012-04-03 — — US disclosed
US-20110053909-A1 Compounds - 801 PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2011-03-03 — — US disclosed
WO-2011012897-A1 NEW COMBINATIONS FOR THE TREATMENT OF ASTHMA ASTRAZENECA AB (SE) 2011-02-03 — — WO disclosed
WO-2011012896-A2 COMPOUNDS - 801 ASTRAZENECA AB (SE) 2011-02-03 — — WO disclosed
EP-2242759-A1 COMPOUNDS AstraZeneca AB (SE) 2010-10-27 — — EP disclosed
WO-2010067102-A1 DIAZASPIRO [5.5] UNDECANE DERIVATIVES AND RELATED COMPOUNDS AS MUSCARINIC-RECEPTOR ANTAGONISTS AND BETA-ADRENORECEPTOR AGONISTS FOR THE TREATMENT OF PULMONARY DISORDERS ASTRAZENECA AB (SE) 2010-06-17 — — WO disclosed
US-20090298807-A1 Compounds ASTRAZENECA AB (SE) 2009-12-03 — — US disclosed
WO-2009098448-A1 COMPOUNDS ASTRAZENECA AB (SE) 2009-08-13 — — 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 (4 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-20130018037-A1 Compounds - 801 ADRA2C, ADRB2, ADRB1 CHRM2 157/4885CHRM3 97/4885EPHX2 1255/4885
US-20120322788-A1 Compouds PKD1, SBDS, ABCB11 CHRM2 3668/4885CHRM3 4265/4885EPHX2 1056/4885
US-20090298807-A1 Compounds PKD1, SLC10A1, ABCB11 CHRM2 2419/4885CHRM3 2714/4885EPHX2 1481/4885
US-20110053909-A1 Compounds - 801 ADRA2C, ADRB2, ADRB1 CHRM2 157/4885CHRM3 97/4885EPHX2 1255/4885

“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.

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