Sugi Predict

Sugi Predict / Compounds / SCHEMBL976398

SCHEMBL976398

SCHEMBL976398

C[C@H](NC(=O)c1cc(Cl)cc(N(C2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)S(C)(=O)=O)c1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 3/20 0.38
▸ CA2 P00918 3/20 0.37
▸ CA1 P00915 3/20 0.37
▸ F2 P00734 2/20 0.36
▸ KDM4C Q9H3R0 1/20 0.35
▸ CCKBR P32239 1/20 0.35
▸ GRN P28799 3/20 0.35
▸ SORT1 Q99523 3/20 0.35
▸ CACNA2D1 P54289 2/20 0.33
▸ CACNA1B Q00975 2/20 0.33
▸ CACNB1 Q02641 2/20 0.33
▸ CACNA1C Q13936 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ UTS2R Q9UKP6 1/20 0.33
▸ CTSD P07339 2/20 0.33
▸ BACE1 P56817 2/20 0.33
▸ BACE2 Q9Y5Z0 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
SCHEMBL975572 0.93 F2 (0.43) SLC6A9CA2CA1F2KDM4C
SCHEMBL979116 0.92 SLC6A9 (0.37) SLC6A9CA2CA1F2KDM4C
SCHEMBL977151 0.92 ERAP1 (0.37) SLC6A9CA2CA1F2KDM4C
SCHEMBL976966 0.92 F2 (0.35) SLC6A9CA2CA1F2CACNA2D1
SCHEMBL976395 0.91 MEN1 (0.36) SLC6A9F2CACNA2D1CACNA1BCACNB1
SCHEMBL976522 0.90 CTSD (0.41) SLC6A9CA2CA1CACNA2D1CACNA1B
SCHEMBL977664 0.90 SLC6A9 (0.35) SLC6A9CA2CA1F2KDM4C
SCHEMBL976506 0.87 CCR1 (0.36) SLC6A9CA2CA1F2
SCHEMBL975245 0.86 SLC6A9 (0.39) SLC6A9F2CACNA2D1CACNA1BCACNB1
SCHEMBL977623 0.85 F2 (0.42) SLC6A9CA1F2MEN1KMT2A

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 2158/4885CA2 4091/4885CA1 4724/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B SLC6A9 2158/4885CA2 4091/4885CA1 4724/4885

“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.