Sugi Predict

Sugi Predict / Compounds / SCHEMBL977202

SCHEMBL977202

SCHEMBL977202

CNC(=O)CNC(=O)c1cccc(N(C2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)S(C)(=O)=O)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 14/20 0.39
▸ SLC6A9 P48067 1/20 0.38
▸ SLC6A5 Q9Y345 1/20 0.38
▸ GPR139 Q6DWJ6 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ CACNA2D1 P54289 1/20 0.38
▸ CACNA1B Q00975 1/20 0.38
▸ CACNB1 Q02641 1/20 0.38
▸ CACNA1C Q13936 1/20 0.38
▸ MRGPRX4 Q96LA9 1/20 0.36

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
SCHEMBL3661726 0.92 CCR2 (0.39) CCR2CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL979308 0.91 CACNA2D1 (0.41) CCR2SLC6A9SLC6A5GPR139MEN1
SCHEMBL975805 0.90 CACNA2D1 (0.38) CCR2SLC6A9SLC6A5GPR139MEN1
SCHEMBL3408675 0.88 DRD2 (0.40) MEN1KMT2ACACNA2D1CACNA1BCACNB1
SCHEMBL975469 0.87 PTPRC (0.41) CCR2MEN1KMT2ACACNA2D1CACNA1B
SCHEMBL3405538 0.87 CTSD (0.39) MEN1KMT2ACACNA2D1CACNA1BCACNB1
Hydrochloric Acid SCHEMBL6519318 0.87 DRD2 (0.39) MEN1KMT2ACACNA2D1CACNA1BCACNB1
SCHEMBL3406626 0.86 CTSD (0.39) MEN1KMT2ACACNA2D1CACNA1BCACNB1
SCHEMBL3408730 0.86 DDR1 (0.36) MEN1KMT2ACACNA2D1CACNA1BCACNB1
SCHEMBL3406225 0.86 SCN9A (0.41) MEN1KMT2A

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 7 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
EP-2234966-B1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI SA (FR) 2013-09-11 — — EP 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 CCR2 1287/4885SLC6A9 2158/4885SLC6A5 3489/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B CCR2 1287/4885SLC6A9 2158/4885SLC6A5 3489/4885

“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.