SCHEMBL3050536

SCHEMBL3050536

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

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 2/20 0.62
CACNA1B Q00975 2/20 0.62
CCR1 P32246 4/20 0.55
CCR2 P41597 4/20 0.55
ACLY P53396 1/20 0.52
CCR5 P51681 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
PTGES2 Q9H7Z7 1/20 0.50
KDM1A O60341 1/20 0.49
IDH2 P48735 1/20 0.48
SLC16A3 O15427 1/20 0.48
PTPN1 P18031 1/20 0.48

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
SCHEMBL3048026 0.89 CCR1 (0.51) CACNA1HCACNA1BCCR1CCR2CCR5
SCHEMBL3050790 0.88 PTPN1 (0.61) CACNA1HCACNA1BCCR1CCR2CCR5
SCHEMBL2897956 0.88 CCR1 (0.60) CACNA1HCACNA1BCCR1CCR2ACLY
SCHEMBL3281479 0.87 CACNA1H (0.59) CACNA1HCACNA1BCCR1CCR2ACLY
SCHEMBL3559755 0.87 CACNA1H (0.61) CACNA1HCACNA1BCCR1CCR2ACLY
SCHEMBL7126634 0.86 CCR1 (0.60) CACNA1HCACNA1BCCR1CCR2ACLY
SCHEMBL3148243 0.85 CCR2 (0.70) CCR1CCR2CCR5PTGES2
SCHEMBL3054749 0.85 CCR1 (0.54) CACNA1HCACNA1BCCR1CCR2CCR5
SCHEMBL3274410 0.82 CACNA1H (0.58) CACNA1HCACNA1BCCR1CCR2TDP1
SCHEMBL4043636 0.81 PTGDR2 (0.57) CACNA1HCACNA1BCCR1CCR2ACLY

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 15 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-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-20100087423-A1 NEW BENZAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2010-04-08 US disclosed
US-20100075978-A1 SULFONAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2010-03-25 US disclosed
EP-2076491-A1 NEW BENZAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS Richter Gedeon NYRT (HU) 2009-07-08 EP 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-2008068540-A1 NEW BENZAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2008-06-12 WO 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 (5 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 CACNA1H 1604/4885CACNA1B 1550/4885CCR1 333/4885
US-20100075978-A1 SULFONAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS BDKRB1, BDKRB2, TRPV1 CACNA1H 1014/4885CACNA1B 881/4885CCR1 358/4885
US-20130029991-A1 New Phenylsulfamoyl Benzamide Derivatives as Bradykinin Antagonists BDKRB1, BDKRB2, HRH4 CACNA1H 1596/4885CACNA1B 1486/4885CCR1 369/4885
US-20100105686-A1 PHENYLSULFAMOYL BENZAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS BDKRB1, BDKRB2, HRH1 CACNA1H 1681/4885CACNA1B 1599/4885CCR1 302/4885
US-20100087423-A1 NEW BENZAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS BDKRB1, BDKRB2, HRH1 CACNA1H 997/4885CACNA1B 915/4885CCR1 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.