SCHEMBL879968

SCHEMBL879968

OB(O)c1ccc(OCCCC(F)(F)F)c(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 7/20 0.40
APP P05067 1/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
CTSS P25774 3/20 0.36
CTSK P43235 3/20 0.36
SCN8A Q9UQD0 2/20 0.36
SCN10A Q9Y5Y9 2/20 0.36
MGLL Q99685 2/20 0.36
MAOB P27338 1/20 0.35
RXRA P19793 2/20 0.34
RXRB P28702 2/20 0.34
RXRG P48443 2/20 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
SCHEMBL13065644 0.89 S1PR1 (0.39) S1PR1THRATHRBCTSSCTSK
SCHEMBL1629502 0.87 CTSS (0.47) S1PR1THRATHRBCTSSCTSK
SCHEMBL1629456 0.85 S1PR1 (0.44) S1PR1CTSSCTSKMGLL
SCHEMBL10290933 0.84 KDM4E (0.41) S1PR1APPTHRBMGLLRXRA
SCHEMBL13665316 0.83 S1PR1 (0.55) S1PR1THRATHRBMGLL
SCHEMBL13064756 0.81 APP (0.39) APPSCN8ASCN10AMGLLMAOB
SCHEMBL13064843 0.81 APP (0.41) APPSCN8ASCN10AMGLLMAOB
SCHEMBL3113375 0.80 RXRA (0.50) S1PR1PDE3BPDE3ACTSSCTSK
SCHEMBL29955864 0.80 RXRA (0.50) S1PR1PDE3BPDE3ACTSSCTSK
SCHEMBL880121 0.79 APP (0.40) APPSCN8ASCN10AMGLLMAOB

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 6 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-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 US disclosed
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 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-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 S1PR1 365/4885APP 4477/4885THRA 1662/4885

“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.