Sugi Predict

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SCHEMBL975709

SCHEMBL975709

COC(=O)c1cc(Br)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 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 2/20 0.36
▸ GPX4 P36969 1/20 0.35
▸ NOTUM Q6P988 1/20 0.34
▸ OPRD1 P41143 3/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ MMP2 P08253 2/20 0.34
▸ MMP9 P14780 2/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ F2 P00734 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP2C19 P33261 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
SCHEMBL975274 0.91 SLC6A9 (0.38) SLC6A9GPX4OPRD1OPRM1MMP2
SCHEMBL974409 0.89 SLC6A9 (0.38) SLC6A9GPX4OPRD1OPRM1MMP2
SCHEMBL977235 0.89 SLC6A9 (0.36) SLC6A9GPX4OPRD1MMP2MMP9
SCHEMBL977021 0.89 SLC6A9 (0.36) SLC6A9GPX4OPRD1OPRM1MMP2
SCHEMBL976057 0.87 NOTUM (0.38) SLC6A9GPX4NOTUMMMP2MMP9
SCHEMBL1993289 0.87 MAPT (0.39) SLC6A9GPX4OPRD1OPRM1CNR1
SCHEMBL979163 0.86 OPRD1 (0.35) SLC6A9GPX4OPRD1OPRM1MMP2
SCHEMBL979116 0.85 SLC6A9 (0.37) SLC6A9OPRD1OPRM1F2CYP1A2
SCHEMBL974342 0.84 CA12 (0.34) SLC6A9OPRD1OPRM1MMP2MMP9
SCHEMBL978463 0.83 KMT2A (0.35) SLC6A9OPRD1OPRM1MMP2MMP9

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 2823/4885NOTUM 4367/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B SLC6A9 2158/4885GPX4 2823/4885NOTUM 4367/4885

“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.