Sugi Predict

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SCHEMBL977062

SCHEMBL977062

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 2/20 0.36
▸ PDE2A O00408 1/20 0.34
▸ TRPV4 Q9HBA0 2/20 0.34
▸ CCR2 P41597 2/20 0.34
▸ KDM1A O60341 1/20 0.34
▸ BDKRB1 P46663 1/20 0.33
▸ GRIA2 P42262 1/20 0.33
▸ RORC P51449 2/20 0.33
▸ PTGER4 P35408 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ KCNH2 Q12809 3/20 0.33
▸ LMNA P02545 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ PTGS1 P23219 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ PSEN1 P49768 1/20 0.32
▸ PSEN2 P49810 1/20 0.32
▸ APH1B Q8WW43 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
SCHEMBL977025 0.93 BACE1 (0.36) SCN9AGRIA2CA12CA1CA9
SCHEMBL974741 0.90 SCN9A (0.35) SCN9AGRIA2CA12CA1CA9
SCHEMBL974839 0.90 SCN9A (0.35) SCN9AGRIA2CA12CA1CA9
SCHEMBL978481 0.90 GRIA2 (0.34) SCN9AGRIA2CA12CA1CA9
SCHEMBL977104 0.89 HPGDS (0.37) SCN9AGRIA2LMNA
SCHEMBL976736 0.88 CCR2 (0.39) CCR2RORC
SCHEMBL975579 0.88 SCN9A (0.37) SCN9AKDM1AGRIA2
SCHEMBL975365 0.85 PPARA (0.45) SCN9APTGER4KCNH2PPARAPTGS1
SCHEMBL977439 0.83 SCN9A (0.36) SCN9AGRIA2PSEN1PSEN2APH1B
SCHEMBL977441 0.83 SCN9A (0.36) SCN9AGRIA2PSEN1PSEN2APH1B

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 694/4885PDE2A 181/4885TRPV4 4746/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B SCN9A 694/4885PDE2A 181/4885TRPV4 4746/4885

“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.