SCHEMBL978428

SCHEMBL978428

COC(=O)c1cc(NS(=O)(=O)CC2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 5/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SLC6A9 P48067 1/20 0.38
SCN7A Q01118 1/20 0.38
SCN5A Q14524 1/20 0.38
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
SIRT6 Q8N6T7 1/20 0.35
GPX4 P36969 1/20 0.35
CMA1 P23946 1/20 0.35
MAPK1 P28482 1/20 0.35
P2RX3 P56373 1/20 0.35
POLB P06746 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
CNR1 P21554 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL977175 0.89 FABP4 (0.40) SCN9ASLC6A9SCN7ASCN5A
SCHEMBL977534 0.85 SCN9A (0.40) SCN9ASLC6A9SCN7ASCN5AMAPT
SCHEMBL977533 0.85 SCN9A (0.40) SCN9ASLC6A9SCN7ASCN5AMAPT
SCHEMBL977022 0.84 SLC6A9 (0.37) SCN9AALDH1A1HPGDSLC6A9SCN7A
SCHEMBL975708 0.84 SCN9A (0.38) SCN9ASCN7ASCN5AMAPTCNR1
SCHEMBL977177 0.84 SCN9A (0.38) SCN9ASCN7ASCN5AMAPTP2RX3
SCHEMBL974851 0.83 SLC6A9 (0.38) SCN9AALDH1A1HPGDHSD17B10SLC6A9
SCHEMBL975275 0.83 SLC6A9 (0.39) ALDH1A1HPGDTSHRSLC6A9MAPT
SCHEMBL977993 0.83 SCN9A (0.37) SCN9ASCN7ASCN5AMAPTP2RX3
SCHEMBL976851 0.83 SCN9A (0.38) SCN9ASLC6A9SCN7ASCN5AMAPT

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 SCN9A 694/4885ALDH1A1 314/4885HPGD 1612/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B SCN9A 694/4885ALDH1A1 314/4885HPGD 1612/4885

“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.