SCHEMBL977532

SCHEMBL977532

C[C@H](NC(=O)c1cc(N(C2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)S(C)(=O)=O)ccc1F)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERAP1 Q9NZ08 1/20 0.38
SLC6A9 P48067 3/20 0.37
SCN9A Q15858 5/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
SCN7A Q01118 2/20 0.36
SCN5A Q14524 2/20 0.36
LMNA P02545 2/20 0.35
TP53 P04637 2/20 0.35
KDM4C Q9H3R0 1/20 0.34
P2RX3 P56373 1/20 0.34
CACNA2D1 P54289 2/20 0.32
CACNA1B Q00975 2/20 0.32
CACNB1 Q02641 2/20 0.32
CYP26A1 O43174 1/20 0.32
CACNA1C Q13936 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MME P08473 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
SCHEMBL977174 0.92 SCN9A (0.35) ERAP1SLC6A9SCN9ACNR1CNR2
SCHEMBL975705 0.91 TP53 (0.36) SLC6A9SCN9ACNR1CNR2SCN7A
SCHEMBL977991 0.87 TRPA1 (0.37) SLC6A9SCN9ACNR1CNR2SCN7A
SCHEMBL977176 0.87 SLC6A9 (0.38) SLC6A9SCN9ACNR1CNR2SCN7A
SCHEMBL977151 0.85 ERAP1 (0.37) ERAP1SLC6A9KDM4CCA1CA2
SCHEMBL976522 0.85 CTSD (0.41) SLC6A9CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL976850 0.85 SCN9A (0.34) SLC6A9SCN9ACNR1CNR2SCN7A
SCHEMBL978426 0.84 ALDH1A1 (0.39) SLC6A9SCN9ASCN7ASCN5ALMNA
SCHEMBL976398 0.84 SLC6A9 (0.38) SLC6A9KDM4CCACNA2D1CACNA1BCACNB1
SCHEMBL975572 0.82 F2 (0.43) ERAP1SLC6A9KDM4CCACNA2D1CACNA1B

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