SCHEMBL977461

SCHEMBL977461

O=C(O)c1cccc(NS(=O)(=O)CC2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
GAA P10253 1/20 0.44
USP2 O75604 1/20 0.42
PFKFB3 Q16875 2/20 0.40
PFKFB4 Q16877 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 5/20 0.40
ALDH1A1 P00352 3/20 0.40
WDR5 P61964 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
EGFR P00533 1/20 0.39

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
SCHEMBL975244 0.89 WDR5 (0.44) MEN1KMT2AGAAWDR5SLC6A9
SCHEMBL979310 0.89 EGFR (0.39) MEN1KMT2ALMNATP53NPSR1
SCHEMBL976523 0.87 EGFR (0.40) LMNATP53NPSR1ALDH1A1NPC1
SCHEMBL976524 0.87 EGFR (0.40) LMNATP53NPSR1ALDH1A1NPC1
SCHEMBL3408673 0.87 DRD2 (0.40) LMNATP53NPSR1POLBEGFR
SCHEMBL3427255 0.87 EGFR (0.39) LMNATP53NPSR1ALDH1A1NPC1
SCHEMBL977114 0.86 WDR5 (0.41) MEN1KMT2AGAAUSP2POLB
SCHEMBL974202 0.86 WDR5 (0.41) LMNATP53NPSR1WDR5SLC6A9
SCHEMBL974408 0.86 WDR5 (0.41) MEN1KMT2AGAAWDR5SLC6A9
Hydrochloric Acid SCHEMBL6527164 0.86 DRD2 (0.40) LMNATP53NPSR1POLBEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101945852-B Azetidine derivatives, their preparation and their use in therapy SANOFI AVENTIS 2014-05-07 CN disclosed
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 MEN1 1111/4885KMT2A 2003/4885GAA 728/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B MEN1 1111/4885KMT2A 2003/4885GAA 728/4885

“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.