SCHEMBL979117

SCHEMBL979117

C[C@H](NC(=O)c1cc(Br)cc(NS(=O)(=O)CC2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)c1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 4/20 0.36
WDR5 P61964 3/20 0.36
KMT2A Q03164 3/20 0.36
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
GPR139 Q6DWJ6 1/20 0.34
DDR1 Q08345 3/20 0.34
CCKBR P32239 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
SCN9A Q15858 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 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
SCHEMBL979118 1.00 SLC6A9 (0.36) SLC6A9WDR5KMT2ACA1CA2
SCHEMBL978464 0.92 KMT2A (0.37) SLC6A9WDR5KMT2AGPR139DDR1
SCHEMBL974345 0.92 CA12 (0.34) SLC6A9WDR5KMT2ACA1GPR139
SCHEMBL976402 0.92 CCKBR (0.38) SLC6A9CA1CA2CCKBRKDM4C
SCHEMBL976400 0.92 CCKBR (0.38) SLC6A9CA1CA2CCKBRKDM4C
SCHEMBL975573 0.91 SLC6A9 (0.37) SLC6A9CA1CA2CCKBRKDM4C
SCHEMBL975574 0.91 SLC6A9 (0.37) SLC6A9CA1CA2CCKBRKDM4C
SCHEMBL977153 0.90 SLC6A9 (0.38) SLC6A9CA1CA2GPR139CCKBR
SCHEMBL977155 0.90 SLC6A9 (0.38) SLC6A9CA1CA2GPR139CCKBR
SCHEMBL976524 0.88 EGFR (0.40) SLC6A9CA1CA2

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 2158/4885WDR5 2893/4885KMT2A 2003/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B SLC6A9 2158/4885WDR5 2893/4885KMT2A 2003/4885

“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.