Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL849271

O=C(O)C(F)(F)F.O=C1NC(C2CCCNC2)=NC12CCN(S(=O)(=O)c1cccc(Cl)c1)CC2

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MGLL Q99685 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD11B1 P28845 1/20 0.39
PTH1R Q03431 3/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
GPR183 P32249 1/20 0.36

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
SCHEMBL879775 0.93 HTR6 (0.49) HTR6MEN1KMT2AMGLLALDH1A1
SCHEMBL848776 0.83 MEN1 (0.51) MEN1KMT2AMGLLALDH1A1HSD11B1
SCHEMBL13555065 0.82 PTH1R (0.41) HTR6MEN1KMT2AALDH1A1PTH1R
SCHEMBL848072 0.81 HSD11B1 (0.46) MEN1KMT2AMGLLALDH1A1HSD11B1
SCHEMBL849645 0.80 MEN1 (0.51) MEN1KMT2AMGLLALDH1A1HSD11B1
SCHEMBL847907 0.80 KMT2A (0.48) MEN1KMT2AMGLLALDH1A1
SCHEMBL847334 0.79 MGLL (0.46) MEN1KMT2AMGLLALDH1A1PTH1R
SCHEMBL848920 0.78 MEN1 (0.46) MEN1KMT2AMGLLALDH1A1PTH1R
SCHEMBL849723 0.78 MEN1 (0.46) MEN1KMT2AMGLLALDH1A1PTH1R
SCHEMBL847346 0.78 KMT2A (0.43) MEN1KMT2AMGLLALDH1A1PTH1R

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
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-01-21 US disclosed
EP-2433940-B9 SPIROIMIDAZOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2015-10-28 EP disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
EP-2433940-B1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2014-09-24 EP disclosed
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 US disclosed
EP-2433940-A1 SPIROIMIDAZOLONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-03-28 EP 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-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 HTR6 1419/4885MEN1 276/4885KMT2A 3163/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 HTR6 1419/4885MEN1 276/4885KMT2A 3163/4885

“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.