Sugi Predict

Sugi Predict / Compounds / SCHEMBL977096

SCHEMBL977096

SCHEMBL977096

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 3/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ EGFR P00533 1/20 0.37
▸ FGFR1 P11362 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ HSP90AA1 P07900 2/20 0.37
▸ PAX8 Q06710 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ ANO1 Q5XXA6 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CACNA1G O43497 2/20 0.35
▸ DRD4 P21917 2/20 0.35
▸ KAT6A Q92794 1/20 0.35
▸ KAT5 Q92993 1/20 0.35
▸ LMNA P02545 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
SCHEMBL975471 0.91 PTPRC (0.41) KMT2AEGFRFGFR1KDRSCN9A
SCHEMBL977861 0.90 KMT2A (0.36) DRD2KMT2ADRD3HSP90AA1SCN9A
SCHEMBL3408729 0.86 EGFR (0.40) DRD2KMT2ADRD3EGFRFGFR1
SCHEMBL3406222 0.86 SCN9A (0.47) DRD2KMT2ADRD3EGFRFGFR1
SCHEMBL3408673 0.85 DRD2 (0.40) DRD2DRD3EGFRFGFR1KDR
SCHEMBL977614 0.84 DRD2 (0.39) DRD2KMT2ADRD3EGFRFGFR1
Hydrochloric Acid SCHEMBL6527164 0.84 DRD2 (0.40) DRD2DRD3EGFRFGFR1KDR
SCHEMBL975685 0.84 EGFR (0.39) KMT2AEGFRFGFR1KDRANO1
SCHEMBL975682 0.84 EGFR (0.39) KMT2AEGFRFGFR1KDRANO1
SCHEMBL3405536 0.81 PRMT5 (0.41) DRD2KMT2ADRD3EGFRFGFR1

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 DRD2 19/4885KMT2A 2003/4885DRD3 103/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B DRD2 19/4885KMT2A 2003/4885DRD3 103/4885

“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.