SCHEMBL977101

SCHEMBL977101

COc1ccc(C(c2ccc(OC)cc2)N2CC(N(c3cc(F)cc(C(=O)N[C@@H](C)C(N)=O)c3)S(C)(=O)=O)C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.39
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
LMNA P02545 1/20 0.36
BACE2 Q9Y5Z0 3/20 0.36
SCN9A Q15858 2/20 0.34
BACE1 P56817 10/20 0.34
MGLL Q99685 1/20 0.33
CNR1 P21554 1/20 0.33
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL977024 0.92 BACE1 (0.38) BACE2SCN9ABACE1
SCHEMBL974739 0.90 F2 (0.34) BACE2BACE1MEN1KMT2A
SCHEMBL978480 0.90 BACE1 (0.34) ALDH1A1GAABACE2BACE1KMT2A
SCHEMBL974838 0.90 F2 (0.34) BACE2BACE1MEN1KMT2A
SCHEMBL977060 0.89 PDE2A (0.35) BACE2SCN9ABACE1
SCHEMBL975577 0.88 EPHX2 (0.35) BACE2SCN9ABACE1
SCHEMBL976313 0.87 HPGDS (0.37) HPGDSALDH1A1GAALMNABACE2
SCHEMBL977440 0.86 PSEN1 (0.34) BACE2BACE1
SCHEMBL977372 0.85 OPRD1 (0.36) ALDH1A1GAALMNASCN9AMGLL
SCHEMBL977864 0.82 BACE1 (0.34) BACE2BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2234966-B1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI SA (FR) 2013-09-11 EP claimed
US-8445478-B2 Azetidine derivatives, their preparation and their application in therapy SANOFI (FR) 2013-05-21 US claimed
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI-AVENTIS (FR) 2011-01-13 US claimed
EP-2234966-A2 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY Sanofi-Aventis (FR) 2010-10-06 EP claimed
WO-2009106708-A2 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI-AVENTIS (FR) 2009-09-03 WO claimed
US-20130237513-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI (FR) 2013-09-12 US disclosed
EP-2234966-B1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI SA (FR) 2013-09-11 EP disclosed
US-8445478-B2 Azetidine derivatives, their preparation and their application in therapy SANOFI (FR) 2013-05-21 US disclosed
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI-AVENTIS (FR) 2011-01-13 US disclosed
EP-2234966-A2 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY Sanofi-Aventis (FR) 2010-10-06 EP disclosed
WO-2009106708-A2 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI-AVENTIS (FR) 2009-09-03 WO 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 (2 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-20130237513-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B HPGDS 2284/4885ALDH1A1 314/4885GAA 728/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B HPGDS 2284/4885ALDH1A1 314/4885GAA 728/4885

“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.