SCHEMBL3045888

SCHEMBL3045888

CC(C)(C)OC(=O)N1CCC(CCNC(=O)CNC(=O)OCc2ccccc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 2/20 0.64
TPSD1 Q9BZJ3 2/20 0.64
TPSG1 Q9NRR2 2/20 0.64
KDM4E B2RXH2 1/20 0.53
PKM P14618 1/20 0.53
HTT P42858 1/20 0.52
GPR119 Q8TDV5 1/20 0.51
YAP1 P46937 3/20 0.51
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
STS P08842 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KEAP1 Q14145 2/20 0.47
NFE2L2 Q16236 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL20782479 0.93 KDM4E (0.58) TPSAB1TPSD1TPSG1KDM4EPKM
SCHEMBL3040666 0.91 KDM4E (0.62) TPSAB1TPSD1TPSG1KDM4EPKM
SCHEMBL20660097 0.89 KDM4E (0.54) TPSAB1TPSD1TPSG1KDM4EPKM
SCHEMBL30990345 0.88 KDM4E (0.53) TPSAB1TPSD1TPSG1KDM4EPKM
SCHEMBL19063606 0.88 KDM4E (0.53) TPSAB1TPSD1TPSG1KDM4EPKM
SCHEMBL20659982 0.87 KDM4E (0.56) TPSAB1TPSD1TPSG1KDM4EPKM
SCHEMBL1241067 0.86 KDM4E (0.69) TPSAB1TPSD1TPSG1KDM4EPKM
SCHEMBL16399970 0.85 HTT (0.56) TPSAB1TPSD1TPSG1KDM4EPKM
SCHEMBL3048960 0.84 SIGMAR1 (0.56) HTTGPR119ALDH1A1MEN1KMT2A
SCHEMBL24392263 0.83 NAMPT (0.51) TPSAB1TPSD1TPSG1KDM4EPKM

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 TPSAB1 19/4885TPSD1 66/4885TPSG1 277/4885
US-20130029991-A1 New Phenylsulfamoyl Benzamide Derivatives as Bradykinin Antagonists BDKRB1, BDKRB2, HRH4 TPSAB1 17/4885TPSD1 69/4885TPSG1 267/4885
US-20100105686-A1 PHENYLSULFAMOYL BENZAMIDE DERIVATIVES AS BRADYKININ ANTAGONISTS BDKRB1, BDKRB2, HRH1 TPSAB1 13/4885TPSD1 72/4885TPSG1 243/4885

“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.