SCHEMBL13065645

SCHEMBL13065645

OB(O)c1cc(OCC(F)(F)C(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.39
HTT P42858 4/20 0.34
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
SOD1 P00441 1/20 0.33
SCN9A Q15858 3/20 0.32
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 2/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
PAX8 Q06710 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL29950784 0.78 RXRA (0.47) MGLLKMT2AMAPTALDH1A1SOD1
SCHEMBL12260219 0.78 RXRA (0.47) MGLLKMT2AMAPTALDH1A1SOD1
SCHEMBL16302558 0.77 ALDH1A1 (0.36) HTTKMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL29951977 0.76 MGLL (0.41) MGLLMAPTALDH1A1SOD1SCN9A
SCHEMBL29955738 0.75 FAAH (0.42) MGLLHTTALDH1A1L3MBTL1RXRA
SCHEMBL15332805 0.73 MGLL (0.39) MGLLSOD1SCN9ARXRARXRB
SCHEMBL1409616 0.73 ENPP2 (0.47) MGLLALDH1A1RAB9AL3MBTL1RXRA
SCHEMBL29954385 0.72 MGLL (0.43) MGLLKMT2AMAPTALDH1A1SCN9A
SCHEMBL16164272 0.71 MGLL (0.61) MGLLMAPTRXRARXRBRXRG
SCHEMBL126169 0.71 MGLL (0.61) MGLLMAPTLMNARXRARXRB

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 4716/4885HTT 1584/4885KMT2A 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.