Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL849858

COc1cc(C2=NC3(CCNCC3)C(=O)N2)ccn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.40

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 1/20 0.40
CHRNA7 P36544 1/20 0.37
HRH4 Q9H3N8 3/20 0.37
NR4A2 P43354 1/20 0.36
DHODH Q02127 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
EGLN1 Q9GZT9 2/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
PKM P14618 1/20 0.34
ATR Q13535 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
PKN1 Q16512 1/20 0.34
PKN2 Q16513 1/20 0.34
SORT1 Q99523 1/20 0.34
HPGDS O60760 1/20 0.34
MAPK1 P28482 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
SCHEMBL13551855 0.90 CHRNA7 (0.43) SLC13A5CHRNA7EGLN1PDE3BPDE3A
Trifluoroacetic Acid SCHEMBL850466 0.81 PKM (0.38) PKM
Trifluoroacetic Acid SCHEMBL3881272 0.79 ATM (0.41) CHRNA7
SCHEMBL13551856 0.75 JAK1 (0.46) CHRNA7
SCHEMBL13551869 0.73 CTSS (0.39)
SCHEMBL879645 0.71 NISCH (0.50)
Trifluoroacetic Acid SCHEMBL848630 0.71 APP (0.41)
SCHEMBL13551918 0.70 NPY5R (0.47) GABRG2GABRB3
SCHEMBL16358642 0.69 NISCH (0.41) PDE3BPDE3A
SCHEMBL10291449 0.69 NISCH (0.47) GABRA1

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 SLC13A5 274/4885CHRNA7 2523/4885HRH4 633/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 SLC13A5 274/4885CHRNA7 2523/4885HRH4 633/4885

“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.