Sugi Predict

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SCHEMBL977235

SCHEMBL977235

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 2/20 0.36
▸ CNR2 P34972 2/20 0.35
▸ GPX4 P36969 1/20 0.35
▸ OPRD1 P41143 2/20 0.34
▸ UTS2R Q9UKP6 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ CNR1 P21554 2/20 0.34
▸ ATM Q13315 1/20 0.34
▸ F2 P00734 2/20 0.33
▸ CACNA1G O43497 1/20 0.33
▸ RORC P51449 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 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
SCHEMBL977322 0.91 RORC (0.37) SLC6A9GPX4OPRD1UTS2RLMNA
SCHEMBL975274 0.91 SLC6A9 (0.38) SLC6A9GPX4OPRD1MMP2MMP9
SCHEMBL975709 0.89 SLC6A9 (0.36) SLC6A9GPX4OPRD1MMP2MMP9
SCHEMBL977021 0.89 SLC6A9 (0.36) SLC6A9GPX4OPRD1MMP2MMP9
SCHEMBL979163 0.88 OPRD1 (0.35) SLC6A9GPX4OPRD1MMP2MMP9
SCHEMBL976057 0.87 NOTUM (0.38) SLC6A9CNR2GPX4UTS2RMMP2
SCHEMBL1993289 0.87 MAPT (0.39) SLC6A9GPX4OPRD1CNR1KMT2A
SCHEMBL976313 0.86 HPGDS (0.37) GPX4UTS2RLMNAF2HTT
SCHEMBL3404166 0.86 MEN1 (0.38) UTS2RLMNAF2HTTKMT2A
SCHEMBL3404161 0.86 MEN1 (0.38) UTS2RLMNAF2HTTKMT2A

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 SLC6A9 2158/4885CNR2 570/4885GPX4 2823/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B SLC6A9 2158/4885CNR2 570/4885GPX4 2823/4885

“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.