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SCHEMBL974851

SCHEMBL974851

COC(=O)c1cccc(NS(=O)(=O)CC2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 2/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ SCN9A Q15858 4/20 0.37
▸ SCN7A Q01118 1/20 0.36
▸ SCN5A Q14524 1/20 0.36
▸ GPX4 P36969 1/20 0.35
▸ KAT6A Q92794 1/20 0.35
▸ KAT5 Q92993 1/20 0.35
▸ NR3C2 P08235 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MCOLN3 Q8TDD5 1/20 0.35
▸ SLC6A4 P31645 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ P2RX7 Q99572 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
SCHEMBL975169 0.89 MEN1 (0.39) SLC6A9KDM4EALDH1A1HPGDHSD17B10
SCHEMBL977199 0.84 KDM4E (0.36) SLC6A9KDM4EALDH1A1HPGDHSD17B10
SCHEMBL977068 0.83 SCN9A (0.34) SLC6A9SCN9ASCN7ASCN5AKAT6A
SCHEMBL978428 0.83 SCN9A (0.39) SLC6A9KDM4EALDH1A1HPGDHSD17B10
SCHEMBL977022 0.79 SLC6A9 (0.37) SLC6A9KDM4EALDH1A1HPGDSCN9A
SCHEMBL974850 0.77 POLB (0.38) SLC6A9KDM4EALDH1A1HPGDHSD17B10
SCHEMBL977313 0.77 S1PR1 (0.40) SLC6A9KDM4EALDH1A1HPGDSCN9A
SCHEMBL975275 0.77 SLC6A9 (0.39) SLC6A9KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL976064 0.76 ACLY (0.43) SLC6A9KDM4EALDH1A1SMN1; SMN2SCN9A
SCHEMBL975711 0.75 SLC6A9 (0.37) SLC6A9KDM4EALDH1A1HPGDSCN9A

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
US-20130237513-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI (FR) 2013-09-12 — — US claimed
EP-2234966-B1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI SA (FR) 2013-09-11 — — EP 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 2158/4885KDM4E 1074/4885ALDH1A1 314/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B SLC6A9 2158/4885KDM4E 1074/4885ALDH1A1 314/4885

“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.