SCHEMBL3046478

SCHEMBL3046478

O=C(CNC(=O)c1ccc(S(=O)(=O)Nc2cc(F)ccc2Oc2ccc(Br)cc2)cc1)NCC1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 8/20 0.40
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
CCR1 P32246 1/20 0.37
CCR5 P51681 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KLKB1 P03952 1/20 0.37
MRGPRX1 Q96LB2 1/20 0.37
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36

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
Trifluoroacetic Acid SCHEMBL3059343 0.96 CCR2 (0.40) CCR2CCR1CCR5ITGB3ITGA2B
SCHEMBL14686195 0.95 CCR2 (0.42) CCR2CCR1CCR5MEN1KMT2A
Hydrochloric Acid SCHEMBL3040714 0.94 CCR2 (0.42) CCR2CCR1CCR5MEN1KMT2A
SCHEMBL14686206 0.92 CCR2 (0.44) CCR2KMT2AITGB3ITGA2B
Hydrochloric Acid SCHEMBL3053532 0.92 CCR2 (0.43) CCR2KMT2AITGB3ITGA2B
SCHEMBL14686142 0.91 ITGB3 (0.43) MEN1KMT2AITGB3ITGA2B
SCHEMBL14686170 0.88 CACNA1H (0.45) MRGPRX1ITGB3ITGA2B
SCHEMBL14686096 0.88 CCR2 (0.44) CCR2CCR1CCR5MEN1KMT2A
Hydrochloric Acid SCHEMBL3043969 0.87 CACNA1H (0.45) MRGPRX1ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL3054795 0.87 ITGB3 (0.43) ITGB3ITGA2B

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 CCR2 390/4885CHRM2 326/4885CHRM1 203/4885
US-20130029991-A1 New Phenylsulfamoyl Benzamide Derivatives as Bradykinin Antagonists BDKRB1, BDKRB2, HRH4 CCR2 371/4885CHRM2 331/4885CHRM1 200/4885
US-20100105686-A1 PHENYLSULFAMOYL BENZAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS BDKRB1, BDKRB2, HRH1 CCR2 359/4885CHRM2 368/4885CHRM1 216/4885

“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.