SCHEMBL6011807

SCHEMBL6011807

CS(=O)(=O)C(=C1CN(C(c2ccc(Cl)cc2)c2ccc(C(=O)O)cc2)C1)c1cc(F)cc(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.39
OPRM1 P35372 1/20 0.38
SLC6A9 P48067 3/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
CNR1 P21554 4/20 0.36
MDM2 Q00987 2/20 0.35
GPX4 P36969 2/20 0.34
CMA1 P23946 1/20 0.34
SRD5A2 P31213 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
PTGER4 P35408 1/20 0.34
PTGER2 P43116 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP3A5 P20815 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
SCHEMBL674830 0.93 CYP2D6 (0.38) OPRD1OPRM1SLC6A9TSHRMDM2
SCHEMBL5082075 0.91 OPRD1 (0.39) OPRD1OPRM1SLC6A9CNR1MDM2
SCHEMBL5081545 0.91 OPRD1 (0.39) OPRD1OPRM1SLC6A9CNR1MDM2
SCHEMBL5075660 0.91 OPRD1 (0.39) OPRD1OPRM1SLC6A9CNR1MDM2
SCHEMBL5081609 0.89 OPRD1 (0.43) OPRD1OPRM1SLC6A9MDM2GPX4
SCHEMBL5078923 0.89 OPRD1 (0.43) OPRD1OPRM1SLC6A9MDM2GPX4
SCHEMBL5078919 0.89 OPRD1 (0.43) OPRD1OPRM1SLC6A9MDM2GPX4
SCHEMBL5078896 0.86 OPRM1 (0.35) OPRD1OPRM1SLC6A9CNR1GPX4
SCHEMBL3297750 0.86 GPX4 (0.36) OPRD1OPRM1SLC6A9CNR1GPX4
SCHEMBL3297620 0.86 OPRM1 (0.35) OPRD1OPRM1SLC6A9CNR1GPX4

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060270649-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2006-11-30 US disclosed
US-6858603-B2 Acetindine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2005-02-22 US disclosed
US-20040235816-A1 Azetidine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2004-11-25 US disclosed
US-20030162808-A1 Acetindine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2003-08-28 US disclosed
EP-1112251-B1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA SA (FR) 2003-05-07 EP disclosed
US-6518264-B2 For treatment/prevention of psychoses, other brain disorders, and cardiovascular disorders AVENTIS PHARMA S.A. (FR) 2003-02-11 US disclosed
US-20020035102-A1 Azetidine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2002-03-21 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 (4 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-20040235816-A1 Azetidine derivatives, their preparation and medicaments containing them AZI2, ADRA2A, ADRA2C OPRD1 13/4885OPRM1 61/4885SLC6A9 1884/4885
US-20060270649-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM AZI2, QDPR, ADRA2A OPRD1 18/4885OPRM1 102/4885SLC6A9 1954/4885
US-20020035102-A1 Azetidine derivatives, their preparation and medicaments containing them CYP11B2, AZI2, CYP2C19 OPRD1 26/4885OPRM1 55/4885SLC6A9 3791/4885
US-20030162808-A1 Acetindine derivatives, their preparation and medicaments containing them ADRA1D, ADRB2, AZI2 OPRD1 13/4885OPRM1 166/4885SLC6A9 2837/4885

“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.