SCHEMBL644812

SCHEMBL644812

CN(C)C(c1ccc(F)cc1)C1CCC(NC(=O)c2ccccc2NCS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 2/20 0.38
CRHR1 P34998 3/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 2/20 0.37
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
CCR5 P51681 1/20 0.36
POLB P06746 2/20 0.35
BDKRB1 P46663 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
NPY1R P25929 1/20 0.35
HTT P42858 1/20 0.35
NPY2R P49146 1/20 0.35
KMT2A Q03164 1/20 0.35
PAX8 Q06710 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL644211 0.94 L3MBTL1 (0.45) L3MBTL1CRHR1TSHRALDH1A1ADRA1D
SCHEMBL644135 0.92 L3MBTL1 (0.42) L3MBTL1HPGDCRHR1TSHRALDH1A1
SCHEMBL644867 0.89 TACR2 (0.36) ALDH1A1BDKRB1KDM4E
SCHEMBL644579 0.89 CHRM1 (0.41) HPGDALDH1A1POLBKDM4EMEN1
SCHEMBL644813 0.83 L3MBTL1 (0.41) L3MBTL1HPGDCRHR1TSHRALDH1A1
SCHEMBL643251 0.83 CHRM1 (0.41) HPGDALDH1A1KDM4EMEN1KMT2A
SCHEMBL645035 0.82 OPRL1 (0.37) CRHR1ALDH1A1
SCHEMBL27751619 0.79 HPGD (0.51) L3MBTL1HPGDCRHR1ALDH1A1MEN1
SCHEMBL1328526 0.77 MCHR1 (0.48) HPGDADRA1ACCR5POLBKDM4E
SCHEMBL644136 0.76 L3MBTL1 (0.41) L3MBTL1HPGDCRHR1TSHRALDH1A1

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-2150530-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2011-10-26 EP claimed
EP-2150530-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-02-10 EP claimed
US-20080312231-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-12-18 US claimed
WO-2008131947-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO claimed
US-8119633-B2 N-{2-[2-(4-benzyl-4-hydroxy-piperidin-1-yl)-2-oxo-ethoxy]-ethyl}-N-ethyl-4-methoxy-2,3,6-trimethyl-phenylsulfonamide; condensing the N-carboxyalkyl phenylsulfonamide with the substituted piperidine; bradykinin receptor antagonists; analgesics; antidiabetics; angiogenesis inhibitors; rheumatic diseases GRUENENTHAL GMBH (DE) 2012-02-21 US disclosed
EP-2150530-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2011-10-26 EP disclosed
EP-2150530-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-02-10 EP disclosed
US-20080312231-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-12-18 US disclosed
WO-2008131947-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 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 (1 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-20080312231-A1 Substituted Sulfonamide Compounds SULT2A1, SULT1A1, SCN1A L3MBTL1 4857/4885HPGD 1116/4885CRHR1 3070/4885

“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.