SCHEMBL977155

SCHEMBL977155

CC(NC(=O)c1cc(F)cc(NS(=O)(=O)CC2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)c1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 3/20 0.38
ERAP1 Q9NZ08 1/20 0.37
SCN9A Q15858 5/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
GRIA2 P42262 1/20 0.35
GPR139 Q6DWJ6 1/20 0.34
BACE1 P56817 3/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
CCKBR P32239 1/20 0.33
SCN7A Q01118 1/20 0.33
SCN5A Q14524 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KAT6A Q92794 1/20 0.33
KAT5 Q92993 1/20 0.33
KAT8 Q9H7Z6 1/20 0.33
CCR1 P32246 1/20 0.33

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
SCHEMBL977153 1.00 SLC6A9 (0.38) SLC6A9ERAP1SCN9ACA1CA2
SCHEMBL977431 0.92 SCN9A (0.38) SLC6A9SCN9AGRIA2GPR139BACE1
SCHEMBL974839 0.92 SCN9A (0.35) SLC6A9SCN9ACA1GRIA2GPR139
SCHEMBL974741 0.92 SCN9A (0.35) SLC6A9SCN9ACA1GRIA2GPR139
SCHEMBL976400 0.92 CCKBR (0.38) SLC6A9CA1CA2CCKBRKDM4C
SCHEMBL976402 0.92 CCKBR (0.38) SLC6A9CA1CA2CCKBRKDM4C
SCHEMBL977439 0.92 SCN9A (0.36) SLC6A9SCN9AGRIA2BACE1BACE2
SCHEMBL977441 0.92 SCN9A (0.36) SLC6A9SCN9AGRIA2BACE1BACE2
SCHEMBL977865 0.92 GRIA2 (0.35) SCN9ACA1CA2GRIA2BACE1
SCHEMBL977867 0.92 GRIA2 (0.35) SCN9ACA1CA2GRIA2BACE1

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 SLC6A9 2158/4885ERAP1 1584/4885SCN9A 694/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B SLC6A9 2158/4885ERAP1 1584/4885SCN9A 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.