Sugi Predict

Sugi Predict / Compounds / SCHEMBL977439

SCHEMBL977439

SCHEMBL977439

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 6/20 0.36
▸ 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
▸ GRIA2 P42262 1/20 0.34
▸ P2RX3 P56373 2/20 0.33
▸ SLC6A9 P48067 2/20 0.33
▸ CACNA1H O95180 1/20 0.33
▸ SCN7A Q01118 1/20 0.33
▸ SCN5A Q14524 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ KAT6A Q92794 1/20 0.32
▸ KAT5 Q92993 1/20 0.32
▸ KAT8 Q9H7Z6 1/20 0.32
▸ BACE1 P56817 3/20 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
SCHEMBL977441 1.00 SCN9A (0.36) SCN9APSEN1PSEN2APH1BNCSTN
SCHEMBL977289 0.94 CA12 (0.37) SCN9AGRIA2SLC6A9SCN7ASCN5A
SCHEMBL977293 0.94 CA12 (0.37) SCN9AGRIA2SLC6A9SCN7ASCN5A
SCHEMBL974839 0.93 SCN9A (0.35) SCN9AGRIA2SLC6A9SCN7ASCN5A
SCHEMBL974741 0.93 SCN9A (0.35) SCN9AGRIA2SLC6A9SCN7ASCN5A
SCHEMBL977630 0.92 KAT5 (0.37) SCN9AGRIA2SLC6A9SCN7ASCN5A
SCHEMBL977633 0.92 KAT5 (0.37) SCN9AGRIA2SLC6A9SCN7ASCN5A
SCHEMBL977153 0.92 SLC6A9 (0.38) SCN9AGRIA2SLC6A9SCN7ASCN5A
SCHEMBL977155 0.92 SLC6A9 (0.38) SCN9AGRIA2SLC6A9SCN7ASCN5A
SCHEMBL977431 0.91 SCN9A (0.38) SCN9AGRIA2SLC6A9KAT6AKAT5

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 SCN9A 694/4885PSEN1 3435/4885PSEN2 3077/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B SCN9A 694/4885PSEN1 3435/4885PSEN2 3077/4885

“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.