SCHEMBL909112

SCHEMBL909112

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.39
CTSS P25774 4/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
CTSK P43235 3/20 0.33
GAA P10253 2/20 0.33
AAK1 Q2M2I8 3/20 0.33
ALDH1A1 P00352 1/20 0.33
ANPEP P15144 1/20 0.32
MAP1LC3B Q9GZQ8 1/20 0.32
MAP1LC3A Q9H492 1/20 0.32
APP P05067 1/20 0.32
PTPN1 P18031 1/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 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
SCHEMBL908772 0.90 APLNR (0.38) APLNRCTSSLMNAPOLBCTSK
SCHEMBL909754 0.81 APLNR (0.40) APLNRCTSSLMNAPOLBCTSK
SCHEMBL28787928 0.80 APLNR (0.39) APLNRCTSSLMNAPOLBCTSK
SCHEMBL909363 0.80 APLNR (0.39) APLNRCTSSLMNAPOLBCTSK
SCHEMBL909247 0.80 MME (0.33) APLNRAAK1ALDH1A1
SCHEMBL908694 0.79 APLNR (0.39) APLNRCTSSLMNAPOLBCTSK
SCHEMBL1532859 0.78 APLNR (0.38) APLNRCTSSLMNAPOLBCTSK
SCHEMBL908896 0.73 S1PR3 (0.34) APLNRCTSSLMNAPOLBCTSK
SCHEMBL1533163 0.72 APLNR (0.41) APLNRCTSSLMNAPOLBCTSK
SCHEMBL14693930 0.70 APLNR (0.37) APLNRLMNAPOLBGAAALDH1A1

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 1641/4885CTSS 2612/4885LMNA 755/4885
US-20110065696-A1 IMIDAZOYL PYRIDINE COMPOUNDS AND SALTS THEREOF APP, PSEN1, BACE1 APLNR 3431/4885CTSS 3249/4885LMNA 1027/4885
US-20090062529-A1 MULTI-CYCLIC COMPOUNDS APP, BACE1, PSEN1 APLNR 2385/4885CTSS 1687/4885LMNA 899/4885

“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.