Sugi Predict

Sugi Predict / Compounds / SCHEMBL977025

SCHEMBL977025

SCHEMBL977025

C[C@H](NC(=O)c1cc(F)cc(NS(=O)(=O)CC2CN(C(c3ccc(F)cc3)c3ccc(F)cc3)C2)c1)C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 3/20 0.36
▸ BACE2 Q9Y5Z0 1/20 0.36
▸ SCN9A Q15858 5/20 0.36
▸ GRIA2 P42262 1/20 0.36
▸ CYP2D6 P10635 2/20 0.35
▸ CCR3 P51677 2/20 0.35
▸ CA1 P00915 3/20 0.34
▸ CA2 P00918 2/20 0.34
▸ CA7 P43166 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HTR1F P30939 1/20 0.34
▸ CA12 O43570 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ SCN7A Q01118 1/20 0.33
▸ SCN5A Q14524 1/20 0.33
▸ APOL1 O14791 2/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ HTT P42858 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
SCHEMBL978481 0.94 GRIA2 (0.34) BACE1BACE2SCN9AGRIA2CYP2D6
SCHEMBL974839 0.94 SCN9A (0.35) BACE1BACE2SCN9AGRIA2CA1
SCHEMBL974741 0.94 SCN9A (0.35) BACE1BACE2SCN9AGRIA2CA1
SCHEMBL977062 0.93 SCN9A (0.36) SCN9AGRIA2CA1CA12CA9
SCHEMBL977104 0.93 HPGDS (0.37) SCN9AGRIA2ALDH1A1KMT2ALMNA
SCHEMBL975579 0.92 SCN9A (0.37) BACE1SCN9AGRIA2SCN5AMEN1
SCHEMBL977441 0.86 SCN9A (0.36) BACE1BACE2SCN9AGRIA2SCN7A
SCHEMBL977439 0.86 SCN9A (0.36) BACE1BACE2SCN9AGRIA2SCN7A
SCHEMBL977867 0.86 GRIA2 (0.35) BACE1BACE2SCN9AGRIA2CYP2D6
SCHEMBL977865 0.86 GRIA2 (0.35) BACE1BACE2SCN9AGRIA2CYP2D6

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 BACE1 2925/4885BACE2 3586/4885SCN9A 694/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B BACE1 2925/4885BACE2 3586/4885SCN9A 694/4885

“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.