SCHEMBL977199

SCHEMBL977199

C[C@H](NC(=O)c1cccc(NS(=O)(=O)CC2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)c1F)C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SCN9A Q15858 3/20 0.34
PTGES2 Q9H7Z7 1/20 0.34
HSD11B1 P28845 1/20 0.34
P2RX3 P56373 2/20 0.34
KCNA5 P22460 3/20 0.34
SCN7A Q01118 1/20 0.33
SCN5A Q14524 1/20 0.33
KAT6A Q92794 4/20 0.33
KAT5 Q92993 3/20 0.33
KAT8 Q9H7Z6 2/20 0.33
P2RX7 Q99572 1/20 0.33
SLC6A9 P48067 1/20 0.33
UTS2R Q9UKP6 2/20 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
SCHEMBL977068 0.91 SCN9A (0.34) SCN9APTGES2KCNA5SCN7ASCN5A
SCHEMBL977177 0.85 SCN9A (0.38) SCN9AP2RX3SCN7ASCN5AKAT6A
SCHEMBL975169 0.85 MEN1 (0.39) KDM4EALDH1A1HPGDHSD17B10SCN9A
SCHEMBL974851 0.84 SLC6A9 (0.38) KDM4EALDH1A1HPGDHSD17B10SCN9A
SCHEMBL976385 0.82 EGFR (0.40) ALDH1A1HPGDUTS2R
SCHEMBL976516 0.82 EGFR (0.40) ALDH1A1HPGDUTS2R
SCHEMBL974839 0.81 SCN9A (0.35) SCN9ASCN7ASCN5AKAT6AKAT5
SCHEMBL974741 0.81 SCN9A (0.35) SCN9ASCN7ASCN5AKAT6AKAT5
SCHEMBL977197 0.80 CTSS (0.36) SCN9AP2RX3P2RX7SLC6A9UTS2R
SCHEMBL976967 0.79 SLC6A9 (0.34) SLC6A9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B KDM4E 1074/4885ALDH1A1 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.