SCHEMBL3054529

SCHEMBL3054529

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 8/20 0.47
PTGDR2 Q9Y5Y4 5/20 0.46
CCR1 P32246 2/20 0.45
CCR5 P51681 2/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
MRGPRX1 Q96LB2 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC2 Q92769 1/20 0.42
NCOR2 Q9Y618 1/20 0.42

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
SCHEMBL3274441 0.94 CCR2 (0.50) CCR2PTGDR2CCR1CCR5KDM4E
SCHEMBL3052348 0.88 CCR2 (0.45) CCR2PTGDR2CCR1CCR5ALDH1A1
SCHEMBL3039982 0.87 CCR2 (0.58) CCR2CCR1CCR5KDM4EMRGPRX1
SCHEMBL3273823 0.85 CACNA1H (0.55) PTGDR2KDM4EALDH1A1LMNAMAPT
SCHEMBL3982948 0.84 MRGPRX1 (0.53) CCR2PTGDR2CCR1CCR5KDM4E
SCHEMBL3982945 0.84 MRGPRX1 (0.50) CCR2CCR1CCR5KDM4EALDH1A1
SCHEMBL3046478 0.83 CCR2 (0.40) CCR2CCR1CCR5KMT2AMRGPRX1
SCHEMBL3275031 0.82 MRGPRX1 (0.49) CCR2PTGDR2CCR1CCR5KDM4E
Trifluoroacetic Acid SCHEMBL3059343 0.81 CCR2 (0.40) CCR2CCR1CCR5
SCHEMBL3047854 0.80 PTGDR2 (0.57) CCR2PTGDR2CCR1KMT2A

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
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
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

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 CCR2 390/4885PTGDR2 225/4885CCR1 333/4885
US-20130029991-A1 New Phenylsulfamoyl Benzamide Derivatives as Bradykinin Antagonists BDKRB1, BDKRB2, HRH4 CCR2 371/4885PTGDR2 233/4885CCR1 369/4885
US-20100105686-A1 PHENYLSULFAMOYL BENZAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS BDKRB1, BDKRB2, HRH1 CCR2 359/4885PTGDR2 244/4885CCR1 302/4885

“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.