Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL14660474

COC1CCNCC1C.O=C(O)C(F)(F)F

nearest known ligand 0.40

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SSTR4 P31391 7/20 0.40
▸ SSTR1 P30872 6/20 0.40
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNA3 P32297 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ CHRNB3 Q05901 1/20 0.34
▸ CHRNA6 Q15825 1/20 0.34
▸ HRH4 Q9H3N8 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ SLC6A1 P30531 2/20 0.33
▸ GABRA5 P31644 2/20 0.33
▸ GABRB2 P47870 2/20 0.33
▸ SLC6A12 P48065 2/20 0.33
▸ SLC6A11 P48066 2/20 0.33
▸ SLC6A13 Q9NSD5 2/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRR1 P24046 1/20 0.33
▸ GABRA4 P48169 1/20 0.33
▸ PKM P14618 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32

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 SCHEMBL15105205 1.00 SSTR4 (0.40) SSTR4SSTR1CHRNB2CHRNA3CHRNA4
Trifluoroacetic Acid SCHEMBL15105206 1.00 SSTR4 (0.40) SSTR4SSTR1CHRNB2CHRNA3CHRNA4
Trifluoroacetic Acid SCHEMBL31259130 0.84 CHRNB2 (0.36) SSTR4SSTR1CHRNB2CHRNA3CHRNA4
Trifluoroacetic Acid SCHEMBL30848782 0.84 CHRNB2 (0.36) SSTR4SSTR1CHRNB2CHRNA3CHRNA4
Trifluoroacetic Acid SCHEMBL17438277 0.83 CHRNB2 (0.33) SSTR4SSTR1CHRNB2CHRNA3CHRNA4
Trifluoroacetic Acid SCHEMBL17438276 0.83 CHRNB2 (0.33) SSTR4SSTR1CHRNB2CHRNA3CHRNA4
SCHEMBL14660509 0.82 — —
SCHEMBL17438655 0.82 — —
SCHEMBL13952179 0.82 — —
SCHEMBL7233589 0.82 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2734521-B1 TETRAHYDROPYRIDO-PYRIDINE AND TETRAHYDROPYRIDO-PYRIMIDINE COMPOUNDS AND USE THEREOF AS C5A RECEPTOR MODULATORS NOVARTIS AG (CH) 2017-05-10 — — EP disclosed
US-9505755-B2 Tetrahydropyrido-pyridine and tetrahydropyrido-pyrimidine compounds and use thereof as C5A receptor modulators NOVARTIS AG (CH) 2016-11-29 — — US disclosed
US-20140349995-A1 TETRAHYDROPYRIDO-PYRIDINE AND TETRAHYDROPYRIDO-PYRIMIDINE COMPOUNDS AND USE THEREOF AS C5A RECEPTOR MODULATORS NOVARTIS AG (CH) 2014-11-27 — — US disclosed
US-8846656-B2 Tetrahydropyrido-pyridine and tetrahydropyrido-pyrimidine compounds and use thereof as C5a receptor modulators NOVARTIS AG (CH) 2014-09-30 — — US disclosed
EP-2734521-A1 TETRAHYDROPYRIDO-PYRIDINE AND TETRAHYDROPYRIDO-PYRIMIDINE COMPOUNDS AND USE THEREOF AS C5A RECEPTOR MODULATORS Novartis AG (CH) 2014-05-28 — — EP disclosed
US-20130184253-A1 TETRAHYDROPYRIDO-PYRIDINE AND TETRAHYDROPYRIDO-PYRIMIDINE COMPOUNDS AND USE THEREOF AS C5A RECEPTOR MODULATORS NOVARTIS AG (CH) 2013-07-18 — — US disclosed
WO-2013016197-A1 TETRAHYDROPYRIDO-PYRIDINE AND TETRAHYDROPYRIDO-PYRIMIDINE COMPOUNDS AND USE THEREOF AS C5A RECEPTOR MODULATORS NOVARTIS AG (CH) 2013-01-31 — — 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-20140349995-A1 TETRAHYDROPYRIDO-PYRIDINE AND TETRAHYDROPYRIDO-PYRIMIDINE COMPOUNDS AND USE THEREOF AS C5A RECEPTOR MODULATORS C5AR1, C3AR1, C5AR2 SSTR4 667/4885SSTR1 831/4885CHRNB2 1300/4885
US-20130184253-A1 TETRAHYDROPYRIDO-PYRIDINE AND TETRAHYDROPYRIDO-PYRIMIDINE COMPOUNDS AND USE THEREOF AS C5A RECEPTOR MODULATORS C5AR1, C3AR1, C5AR2 SSTR4 604/4885SSTR1 741/4885CHRNB2 1061/4885

“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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