SCHEMBL977440

SCHEMBL977440

COC(=O)[C@H](C)NC(=O)c1cc(F)cc(N(C2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)S(C)(=O)=O)c1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
F2 P00734 2/20 0.34
CACNA1H O95180 1/20 0.33
BCL2L1 Q07817 1/20 0.33
BACE1 P56817 10/20 0.32
CCR1 P32246 1/20 0.32
GPX4 P36969 1/20 0.32
SLC6A9 P48067 1/20 0.32
PHGDH O43175 1/20 0.32
IDO1 P14902 1/20 0.32
BACE2 Q9Y5Z0 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
SCHEMBL977291 0.93 F2 (0.35) F2BACE1IDO1
SCHEMBL974838 0.92 F2 (0.34) F2BACE1CCR1SLC6A9IDO1
SCHEMBL974739 0.92 F2 (0.34) F2BACE1CCR1SLC6A9IDO1
SCHEMBL977631 0.92 MAPT (0.35) F2BACE1PHGDH
SCHEMBL977151 0.92 ERAP1 (0.37) F2BACE1CCR1SLC6A9BACE2
SCHEMBL977430 0.90 MEN1 (0.35) F2BACE1CCR1SLC6A9IDO1
SCHEMBL975368 0.88 CCR1 (0.38) F2BACE1CCR1BACE2
SCHEMBL3401743 0.87 BACE1 (0.37) F2BACE1BACE2
SCHEMBL977021 0.87 SLC6A9 (0.36) F2GPX4SLC6A9
SCHEMBL3405699 0.86 BACE1 (0.41) F2BACE1SLC6A9

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 6 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
US-20130237513-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI (FR) 2013-09-12 US 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

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 PSEN1 3435/4885PSEN2 3077/4885APH1B 1070/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B PSEN1 3435/4885PSEN2 3077/4885APH1B 1070/4885

“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.