SCHEMBL880123

SCHEMBL880123

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.37
RXRA P19793 2/20 0.35
RXRB P28702 2/20 0.35
RXRG P48443 2/20 0.35
AAK1 Q2M2I8 5/20 0.34
MRGPRX4 Q96LA9 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
PAX8 Q06710 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL10290933 0.89 KDM4E (0.41) MGLLRXRARXRBRXRGAAK1
SCHEMBL880093 0.88 MGLL (0.37) MGLLKDM4EMEN1MAPTKMT2A
SCHEMBL3587911 0.85 AAK1 (0.38) MGLLRXRARXRBRXRGAAK1
SCHEMBL13065644 0.84 S1PR1 (0.39) MGLLRXRARXRBRXRGMRGPRX4
SCHEMBL13065643 0.82 KDM4E (0.49) MGLLRXRARXRBRXRGAAK1
SCHEMBL3113375 0.81 RXRA (0.50) MGLLRXRARXRBRXRGCYP2C9
SCHEMBL29955864 0.81 RXRA (0.50) MGLLRXRARXRBRXRGCYP2C9
SCHEMBL1629456 0.80 S1PR1 (0.44) MGLLS1PR1CTSSCTSK
SCHEMBL13554240 0.79 RXRA (0.35) MGLLRXRARXRBRXRGAAK1
SCHEMBL1629502 0.79 CTSS (0.47) MGLLS1PR1CTSSCTSK

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 MGLL 4716/4885RXRA 2610/4885RXRB 2718/4885

“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.