SCHEMBL3039982

SCHEMBL3039982

O=C(O)c1ccc(S(=O)(=O)Nc2cc(F)ccc2Oc2ccc(Br)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.58
CCR1 P32246 1/20 0.58
CCR5 P51681 1/20 0.58
PTPN1 P18031 1/20 0.50
MRGPRX1 Q96LB2 1/20 0.48
GFER P55789 1/20 0.47
CYP2C9 P11712 1/20 0.46
KDM4E B2RXH2 1/20 0.46
IDO1 P14902 1/20 0.45
PTGER4 P35408 1/20 0.45
PTGER2 P43116 1/20 0.45

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
SCHEMBL3049477 0.93 CCR2 (0.62) CCR2CCR1CCR5PTPN1MRGPRX1
SCHEMBL3982945 0.90 MRGPRX1 (0.50) CCR2CCR1CCR5MRGPRX1CYP2C9
SCHEMBL3982948 0.90 MRGPRX1 (0.53) CCR2CCR1CCR5MRGPRX1CYP2C9
SCHEMBL3050565 0.90 CCR2 (0.64) CCR2CCR1CCR5PTPN1KDM4E
SCHEMBL3054529 0.87 CCR2 (0.47) CCR2CCR1CCR5MRGPRX1KDM4E
SCHEMBL3054749 0.86 CCR1 (0.54) CCR2CCR1CCR5GFERIDO1
SCHEMBL3050790 0.82 PTPN1 (0.61) CCR2CCR1CCR5PTPN1MRGPRX1
SCHEMBL3052348 0.81 CCR2 (0.45) CCR2CCR1CCR5MRGPRX1
SCHEMBL3274441 0.80 CCR2 (0.50) CCR2CCR1CCR5MRGPRX1KDM4E
SCHEMBL14075409 0.78 CCR2 (0.61) CCR2CCR1CCR5PTPN1GFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074083-B1 NEW SULFONAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT (HU) 2013-06-19 EP disclosed
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
US-20100075978-A1 SULFONAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2010-03-25 US disclosed
EP-2074083-A1 NEW SULFONAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS Richter Gedeon NYRT (HU) 2009-07-01 EP disclosed
EP-2057116-A1 NEW PHENYLSULFAMOYL BENZAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS Richter Gedeon NYRT (HU) 2009-05-13 EP disclosed
WO-2008050167-A1 NEW PHENYLSULFAMOYL BENZAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2008-05-02 WO disclosed
WO-2008050168-A1 NEW SULFONAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2008-05-02 WO 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-20120295910-A1 New Phenylsulfamoyl Benzamide Derivatives as Bradykinin Antagonists BDKRB1, BDKRB2, HRH4 CCR2 390/4885CCR1 333/4885CCR5 816/4885
US-20100075978-A1 SULFONAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS BDKRB1, BDKRB2, TRPV1 CCR2 417/4885CCR1 358/4885CCR5 584/4885
US-20130029991-A1 New Phenylsulfamoyl Benzamide Derivatives as Bradykinin Antagonists BDKRB1, BDKRB2, HRH4 CCR2 371/4885CCR1 369/4885CCR5 778/4885
US-20100105686-A1 PHENYLSULFAMOYL BENZAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS BDKRB1, BDKRB2, HRH1 CCR2 359/4885CCR1 302/4885CCR5 901/4885

“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.