SCHEMBL908772

SCHEMBL908772

CC(C)(C)OC(=O)NNC(=O)C(CC(O)CCl)c1cc(F)c(F)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.38
GAA P10253 2/20 0.35
APP P05067 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
AAK1 Q2M2I8 3/20 0.32
ALDH1A1 P00352 1/20 0.32
ANPEP P15144 1/20 0.32
CTSS P25774 4/20 0.31
CTSK P43235 3/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
SERPINE1 P05121 1/20 0.31
S1PR3 Q99500 1/20 0.31

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
SCHEMBL909112 0.90 APLNR (0.39) APLNRGAAAPPLMNAPOLB
SCHEMBL909754 0.85 APLNR (0.40) APLNRGAAAPPLMNAPOLB
SCHEMBL908694 0.83 APLNR (0.39) APLNRGAAAPPLMNAPOLB
SCHEMBL1532859 0.82 APLNR (0.38) APLNRGAAAPPLMNAPOLB
SCHEMBL28787928 0.79 APLNR (0.39) APLNRGAALMNAPOLBAAK1
SCHEMBL909363 0.79 APLNR (0.39) APLNRGAALMNAPOLBAAK1
SCHEMBL908896 0.79 S1PR3 (0.34) APLNRGAAAPPLMNAPOLB
SCHEMBL909247 0.79 MME (0.33) APLNRAAK1ALDH1A1
SCHEMBL1533163 0.76 APLNR (0.41) APLNRGAAAPPLMNAPOLB
SCHEMBL909303 0.70 APLNR (0.39) APLNRGAALMNAPOLBALDH1A1

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 9 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
CN-101815713-B Polycyclic compounds EISAI R&D MAN CO LTD 2013-09-11 CN 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 APLNR 1641/4885GAA 2325/4885APP 1/4885
US-20110065696-A1 IMIDAZOYL PYRIDINE COMPOUNDS AND SALTS THEREOF APP, PSEN1, BACE1 APLNR 3431/4885GAA 1935/4885APP 1/4885
US-20090062529-A1 MULTI-CYCLIC COMPOUNDS APP, BACE1, PSEN1 APLNR 2385/4885GAA 1552/4885APP 1/4885

“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.