Sugi Predict

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SCHEMBL979321

SCHEMBL979321

COC(=O)c1cc(F)cc(N(C2CN(C(c3ccc(C)cc3)c3ccc(C)cc3)C2)S(C)(=O)=O)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 3/20 0.35
▸ TDP1 Q9NUW8 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ SCN9A Q15858 2/20 0.33
▸ CYP2C9 P11712 3/20 0.32
▸ MGLL Q99685 1/20 0.32
▸ SLC6A9 P48067 1/20 0.32
▸ MMP2 P08253 1/20 0.32
▸ MMP9 P14780 1/20 0.32
▸ OPRM1 P35372 1/20 0.31
▸ TCF4 P15884 1/20 0.31
▸ CTNNB1 P35222 1/20 0.31
▸ SCN7A Q01118 1/20 0.31
▸ SCN5A Q14524 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ F2 P00734 1/20 0.31

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
SCHEMBL975371 0.94 MGLL (0.37) OPRD1SCN9AMGLLSCN7ASCN5A
SCHEMBL977021 0.91 SLC6A9 (0.36) OPRD1SCN9AMGLLSLC6A9MMP2
SCHEMBL978279 0.89 OPRD1 (0.34) OPRD1TDP1GAASCN9ASLC6A9
SCHEMBL977905 0.89 ACHE (0.40) MMP2MMP9
SCHEMBL974854 0.84 OPRD1 (0.37) OPRD1GAAMGLLOPRM1KDM4E
SCHEMBL978429 0.83 SLC6A9 (0.36) OPRD1SLC6A9OPRM1ALDH1A1F2
SCHEMBL977037 0.83 MAPT (0.36) OPRD1CYP2C9KDM4EALDH1A1
SCHEMBL977229 0.83 OPRD1 (0.35) OPRD1TDP1GAASCN9AMGLL
SCHEMBL977372 0.83 OPRD1 (0.36) OPRD1GAASCN9ACYP2C9MGLL
SCHEMBL976537 0.83 ALOX15 (0.38) OPRD1SLC6A9MMP2MMP9

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
US-20130237513-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI (FR) 2013-09-12 — — US claimed
EP-2234966-B1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI SA (FR) 2013-09-11 — — EP 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 OPRD1 144/4885TDP1 2780/4885GAA 728/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B OPRD1 144/4885TDP1 2780/4885GAA 728/4885

“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.