Sugi Predict

Sugi Predict / Compounds / SCHEMBL975469

SCHEMBL975469

SCHEMBL975469

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPRC P08575 2/20 0.41
▸ CACNA2D1 P54289 1/20 0.36
▸ CACNA1B Q00975 1/20 0.36
▸ CACNB1 Q02641 1/20 0.36
▸ CACNA1C Q13936 1/20 0.36
▸ KMT2A Q03164 4/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ MAPT P10636 1/20 0.35
▸ USP30 Q70CQ3 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ DDR1 Q08345 1/20 0.35
▸ CCR2 P41597 7/20 0.35
▸ F2 P00734 2/20 0.35
▸ DRD2 P14416 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ KDM4E B2RXH2 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
SCHEMBL977097 0.91 HSP90AA1 (0.39) KMT2AMEN1USP30ALDH1A1DRD2
SCHEMBL3408730 0.89 DDR1 (0.36) CACNA2D1CACNA1BCACNB1CACNA1CKMT2A
SCHEMBL979308 0.89 CACNA2D1 (0.41) CACNA2D1CACNA1BCACNB1CACNA1CKMT2A
SCHEMBL975805 0.88 CACNA2D1 (0.38) CACNA2D1CACNA1BCACNB1CACNA1CKMT2A
SCHEMBL977202 0.87 CCR2 (0.39) CACNA2D1CACNA1BCACNB1CACNA1CKMT2A
SCHEMBL975683 0.86 CTSD (0.37) KMT2AMEN1MAPTUSP30CYP1A2
SCHEMBL3406225 0.86 SCN9A (0.41) KMT2AMEN1MAPTALDH1A1CYP1A2
SCHEMBL3408675 0.85 DRD2 (0.40) CACNA2D1CACNA1BCACNB1CACNA1CKMT2A
SCHEMBL2168143 0.85 USP30 (0.49) KMT2AMEN1USP30
SCHEMBL3405538 0.85 CTSD (0.39) CACNA2D1CACNA1BCACNB1CACNA1CKMT2A

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 PTPRC 1120/4885CACNA2D1 2643/4885CACNA1B 1231/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B PTPRC 1120/4885CACNA2D1 2643/4885CACNA1B 1231/4885

“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.