SCHEMBL3046480

SCHEMBL3046480

O=C(CNC(=O)c1ccc(S(=O)(=O)N(Oc2ccc(Br)cc2)c2cccc(F)c2)cc1)NCC1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 7/20 0.38
USP5 P45974 1/20 0.36
KLKB1 P03952 1/20 0.36
POLB P06746 1/20 0.36
CHRM1 P11229 2/20 0.36
HTT P42858 1/20 0.36
KDM1A O60341 1/20 0.35
F10 P00742 1/20 0.35
PRSS1 P07477 1/20 0.35
ITGB3 P05106 4/20 0.34
ITGA2B P08514 4/20 0.34
PTGIR P43119 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM3 P20309 1/20 0.34

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
SCHEMBL14686196 0.95 CXCR3 (0.40) CXCR3USP5KLKB1POLBCHRM1
Hydrochloric Acid SCHEMBL3040716 0.94 CXCR3 (0.39) CXCR3USP5KLKB1POLBCHRM1
SCHEMBL14686207 0.93 CXCR3 (0.41) CXCR3USP5KLKB1POLBCHRM1
Hydrochloric Acid SCHEMBL3053536 0.92 CXCR3 (0.41) CXCR3USP5KLKB1POLBCHRM1
SCHEMBL14686144 0.91 CXCR3 (0.45) CXCR3USP5POLBKDM1AITGB3
SCHEMBL14686171 0.87 CXCR3 (0.45) CXCR3POLBKDM1AITGB3ITGA2B
Hydrochloric Acid SCHEMBL3043975 0.87 CXCR3 (0.44) CXCR3POLBKDM1AITGB3ITGA2B
SCHEMBL15016253 0.86 ITGB3 (0.38) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL3146168 0.86 ITGB3 (0.37) ITGB3ITGA2B
SCHEMBL3049852 0.85 KDM4E (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2057116-B1 NEW PHENYLSULFAMOYL BENZAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT (HU) 2013-02-13 EP claimed
US-20100105686-A1 PHENYLSULFAMOYL BENZAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2010-04-29 US claimed
EP-2057116-A1 NEW PHENYLSULFAMOYL BENZAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS Richter Gedeon NYRT (HU) 2009-05-13 EP claimed
WO-2008050167-A1 NEW PHENYLSULFAMOYL BENZAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2008-05-02 WO claimed
EP-2057116-B1 NEW PHENYLSULFAMOYL BENZAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT (HU) 2013-02-13 EP disclosed
US-20130029991-A1 New Phenylsulfamoyl Benzamide Derivatives as Bradykinin Antagonists BEKE GYULA (HU) 2013-01-31 US disclosed
US-20120295910-A1 New Phenylsulfamoyl Benzamide Derivatives as Bradykinin Antagonists BEKE GYULA (HU) 2012-11-22 US disclosed
US-20100105686-A1 PHENYLSULFAMOYL BENZAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2010-04-29 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 (3 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-20120295910-A1 New Phenylsulfamoyl Benzamide Derivatives as Bradykinin Antagonists BDKRB1, BDKRB2, HRH4 CXCR3 555/4885USP5 2954/4885KLKB1 121/4885
US-20130029991-A1 New Phenylsulfamoyl Benzamide Derivatives as Bradykinin Antagonists BDKRB1, BDKRB2, HRH4 CXCR3 529/4885USP5 2948/4885KLKB1 114/4885
US-20100105686-A1 PHENYLSULFAMOYL BENZAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS BDKRB1, BDKRB2, HRH1 CXCR3 515/4885USP5 2758/4885KLKB1 104/4885

“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.