SCHEMBL909009

SCHEMBL909009

COCOC(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(C(=O)NNC(=O)OC(C)(C)C)c1cc(F)c(F)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.32
CTSK P43235 3/20 0.32
CYP3A4 P08684 1/20 0.32
PTPN1 P18031 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
S1PR3 Q99500 1/20 0.30
CTSB P07858 1/20 0.30
APLNR P35414 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
SCHEMBL909010 1.00 CTSS (0.32) CTSSCTSKCYP3A4PTPN1LMNA
SCHEMBL3134129 0.86 CYP3A4 (0.34) CYP3A4
SCHEMBL3134124 0.86 CYP3A4 (0.34) CYP3A4
SCHEMBL908387 0.83 ABCB1 (0.35) CYP3A4
SCHEMBL14693930 0.82 APLNR (0.37) LMNAPOLBAPLNR
SCHEMBL908631 0.82 APLNR (0.37) LMNAPOLBAPLNR
SCHEMBL908629 0.82 APLNR (0.37) LMNAPOLBAPLNR
SCHEMBL909303 0.81 APLNR (0.39) LMNAPOLBAPLNR
SCHEMBL909304 0.81 APLNR (0.39) LMNAPOLBAPLNR
SCHEMBL909106 0.76 CTSK (0.37) CTSSCTSKCYP3A4LMNAPOLB

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 CTSS 2612/4885CTSK 3389/4885CYP3A4 1991/4885
US-20110065696-A1 IMIDAZOYL PYRIDINE COMPOUNDS AND SALTS THEREOF APP, PSEN1, BACE1 CTSS 3249/4885CTSK 4267/4885CYP3A4 767/4885
US-20090062529-A1 MULTI-CYCLIC COMPOUNDS APP, BACE1, PSEN1 CTSS 1687/4885CTSK 3054/4885CYP3A4 2999/4885

“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.