Sugi Predict

Sugi Predict / Compounds / SCHEMBL975572

SCHEMBL975572

SCHEMBL975572

Cc1cc(C(=O)N[C@@H](C)C(=O)O)cc(N(C2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)S(C)(=O)=O)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 2/20 0.43
▸ SLC6A9 P48067 3/20 0.37
▸ CA2 P00918 3/20 0.36
▸ CA1 P00915 3/20 0.36
▸ EPHX2 P34913 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.34
▸ CTSD P07339 2/20 0.33
▸ BACE1 P56817 2/20 0.33
▸ BACE2 Q9Y5Z0 2/20 0.33
▸ ERAP1 Q9NZ08 1/20 0.33
▸ CACNA2D1 P54289 2/20 0.32
▸ CACNA1B Q00975 2/20 0.32
▸ CACNB1 Q02641 2/20 0.32
▸ CACNA1C Q13936 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ UTS2R Q9UKP6 2/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA9 Q16790 1/20 0.32

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
SCHEMBL976398 0.93 SLC6A9 (0.38) F2SLC6A9CA2CA1KDM4C
SCHEMBL977623 0.92 F2 (0.42) F2SLC6A9CA1EPHX2CTSD
SCHEMBL974359 0.91 F2 (0.42) F2SLC6A9EPHX2CTSDBACE1
SCHEMBL979116 0.90 SLC6A9 (0.37) F2SLC6A9CA2CA1KDM4C
SCHEMBL977151 0.90 ERAP1 (0.37) F2SLC6A9CA2CA1KDM4C
SCHEMBL976522 0.89 CTSD (0.41) SLC6A9CA2CA1CTSDBACE1
SCHEMBL977664 0.88 SLC6A9 (0.35) F2SLC6A9CA2CA1KDM4C
SCHEMBL974819 0.87 F2 (0.41) F2EPHX2
SCHEMBL977115 0.87 F2 (0.42) F2SLC6A9EPHX2CACNA2D1CACNA1B
SCHEMBL977819 0.85 F2 (0.43) F2SLC6A9CA2CA1EPHX2

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 F2 2042/4885SLC6A9 2158/4885CA2 4091/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B F2 2042/4885SLC6A9 2158/4885CA2 4091/4885

“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.