SCHEMBL908896

SCHEMBL908896

CC(C)(C)OC(=O)NNC(=O)C(CC(CCl)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1cc(F)c(F)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 1/20 0.34
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
CTSS P25774 3/20 0.33
CTSK P43235 3/20 0.33
GAA P10253 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
APP P05067 1/20 0.32
PTPN1 P18031 1/20 0.31
APLNR P35414 1/20 0.31
ALOX5AP P20292 1/20 0.30
FEN1 P39748 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
SCHEMBL908772 0.79 APLNR (0.38) S1PR3LMNAPOLBCTSSCTSK
SCHEMBL909754 0.75 APLNR (0.40) S1PR3LMNAPOLBCTSSCTSK
SCHEMBL909112 0.73 APLNR (0.39) LMNAPOLBCTSSCTSKGAA
SCHEMBL908694 0.73 APLNR (0.39) S1PR3LMNAPOLBCTSSCTSK
SCHEMBL1532859 0.72 APLNR (0.38) S1PR3LMNAPOLBCTSSCTSK
SCHEMBL3627226 0.72 S1PR3 (0.38) S1PR3LMNACTSSCTSKPTPN1
SCHEMBL909009 0.71 CTSS (0.32) S1PR3LMNAPOLBCTSSCTSK
SCHEMBL909010 0.71 CTSS (0.32) S1PR3LMNAPOLBCTSSCTSK
SCHEMBL28787928 0.70 APLNR (0.39) LMNAPOLBCTSSCTSKGAA
SCHEMBL909363 0.70 APLNR (0.39) LMNAPOLBCTSSCTSKGAA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9453000-B2 Polycyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-09-27 US disclosed
EP-2181992-B1 POLYCYCLIC COMPOUND EISAI R&D MAN CO LTD (JP) 2013-05-01 EP disclosed
EP-2559693-A1 Polycyclic compound Eisai R&D Management Co., Ltd. (JP) 2013-02-20 EP disclosed
US-7935815-B2 Imidazoyl pyridine compounds and salts thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-05-03 US disclosed
US-20110065696-A1 IMIDAZOYL PYRIDINE COMPOUNDS AND SALTS THEREOF KIMURA TEIJI 2011-03-17 US disclosed
US-20110009619-A1 POLYCYCLIC COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-01-13 US disclosed
EP-2181992-A1 POLYCYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2010-05-05 EP disclosed
US-20090062529-A1 MULTI-CYCLIC COMPOUNDS EISAI R&D MANAGEMENT CO., LTD., (JP) 2009-03-05 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 (3 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-20110009619-A1 POLYCYCLIC COMPOUND APP, BACE1, PSEN1 S1PR3 1929/4885LMNA 755/4885POLB 4267/4885
US-20110065696-A1 IMIDAZOYL PYRIDINE COMPOUNDS AND SALTS THEREOF APP, PSEN1, BACE1 S1PR3 3369/4885LMNA 1027/4885POLB 4605/4885
US-20090062529-A1 MULTI-CYCLIC COMPOUNDS APP, BACE1, PSEN1 S1PR3 2241/4885LMNA 899/4885POLB 3970/4885

“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.