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SCHEMBL975274

SCHEMBL975274

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 3/20 0.38
▸ GPX4 P36969 2/20 0.37
▸ OPRD1 P41143 3/20 0.36
▸ CNR1 P21554 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ F2 P00734 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CACNA2D1 P54289 1/20 0.34
▸ CACNA1B Q00975 1/20 0.34
▸ CACNB1 Q02641 1/20 0.34
▸ CACNA1C Q13936 1/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ MGLL Q99685 1/20 0.33
▸ ABHD6 Q9BV23 1/20 0.33
▸ HTR3E A5X5Y0 1/20 0.33
▸ GMNN O75496 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
SCHEMBL977235 0.91 SLC6A9 (0.36) SLC6A9GPX4OPRD1CNR1ATM
SCHEMBL977021 0.91 SLC6A9 (0.36) SLC6A9GPX4OPRD1CNR1ATM
SCHEMBL975709 0.91 SLC6A9 (0.36) SLC6A9GPX4OPRD1CNR1ATM
SCHEMBL976057 0.90 NOTUM (0.38) SLC6A9GPX4CNR1ATMPOLB
SCHEMBL1993289 0.89 MAPT (0.39) SLC6A9GPX4OPRD1CNR1POLB
SCHEMBL979163 0.89 OPRD1 (0.35) SLC6A9GPX4OPRD1CNR1ATM
SCHEMBL975245 0.89 SLC6A9 (0.39) SLC6A9GPX4OPRD1F2CACNA2D1
SCHEMBL975371 0.84 MGLL (0.37) OPRD1ATMMAPTMGLL
SCHEMBL976398 0.84 SLC6A9 (0.38) SLC6A9F2CACNA2D1CACNA1BCACNB1
SCHEMBL976966 0.83 F2 (0.35) SLC6A9OPRD1CNR1F2CACNA2D1

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 2158/4885GPX4 2823/4885OPRD1 144/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B SLC6A9 2158/4885GPX4 2823/4885OPRD1 144/4885

“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.