SCHEMBL3050790

SCHEMBL3050790

O=C(O)c1ccc(S(=O)(=O)Nc2ccccc2Oc2ccc(F)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.61
CACNA1H O95180 2/20 0.59
CACNA1B Q00975 2/20 0.59
FFAR1 O14842 1/20 0.56
FFAR4 Q5NUL3 1/20 0.56
MRGPRX1 Q96LB2 1/20 0.55
CCR1 P32246 2/20 0.55
CCR2 P41597 2/20 0.55
BCL2L1 Q07817 1/20 0.55
MCL1 Q07820 1/20 0.55
CCR5 P51681 1/20 0.55
TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL2897956 0.92 CCR1 (0.60) PTPN1CACNA1HCACNA1BCCR1CCR2
SCHEMBL3049477 0.89 CCR2 (0.62) PTPN1MRGPRX1CCR1CCR2CCR5
SCHEMBL3054749 0.89 CCR1 (0.54) CACNA1HCACNA1BCCR1CCR2CCR5
SCHEMBL3148243 0.89 CCR2 (0.70) CCR1CCR2CCR5
SCHEMBL3050536 0.88 CACNA1H (0.62) PTPN1CACNA1HCACNA1BCCR1CCR2
SCHEMBL3048026 0.88 CCR1 (0.51) PTPN1CACNA1HCACNA1BCCR1CCR2
SCHEMBL3050565 0.88 CCR2 (0.64) PTPN1FFAR1FFAR4CCR1CCR2
SCHEMBL3561665 0.86 CACNA1H (0.58) PTPN1CACNA1HCACNA1BMCL1TDP1
SCHEMBL3273823 0.85 CACNA1H (0.55) CACNA1HCACNA1BFFAR1FFAR4MRGPRX1
SCHEMBL3144199 0.83 CCR2 (0.68) CCR1CCR2CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2076491-B1 NEW BENZAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT (HU) 2013-07-17 EP disclosed
US-8481527-B2 Benzamide derivatives as bradykinin antagonists RICHTER GEDEON NYRT. (HU) 2013-07-09 US 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-20100087423-A1 NEW BENZAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2010-04-08 US disclosed
EP-2076491-A1 NEW BENZAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS Richter Gedeon NYRT (HU) 2009-07-08 EP disclosed
WO-2008068540-A1 NEW BENZAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2008-06-12 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 PTPN1 3218/4885CACNA1H 1604/4885CACNA1B 1550/4885
US-20130029991-A1 New Phenylsulfamoyl Benzamide Derivatives as Bradykinin Antagonists BDKRB1, BDKRB2, HRH4 PTPN1 3323/4885CACNA1H 1596/4885CACNA1B 1486/4885
US-20100105686-A1 PHENYLSULFAMOYL BENZAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS BDKRB1, BDKRB2, HRH1 PTPN1 3111/4885CACNA1H 1681/4885CACNA1B 1599/4885
US-20100087423-A1 NEW BENZAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS BDKRB1, BDKRB2, HRH1 PTPN1 4577/4885CACNA1H 997/4885CACNA1B 915/4885

“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.