SCHEMBL645393

SCHEMBL645393

CN(C)C(c1cccc(F)c1)C1CCC(NC(=O)C2Cc3ccccc3N2S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
BDKRB1 P46663 4/20 0.39
PTGER3 P43115 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
OPRL1 P41146 2/20 0.35
MAPT P10636 1/20 0.35
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34
TSHR P16473 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34

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
SCHEMBL644236 0.93 LMNA (0.41) LMNABDKRB1PTGER3SMN1; SMN2HPGD
SCHEMBL644671 0.92 LMNA (0.43) LMNABDKRB1PTGER3SMN1; SMN2HPGD
SCHEMBL642869 0.81 CACNA1H (0.42) BDKRB1PTGER3MAPTALDH1A1TDP1
SCHEMBL643253 0.81 BDKRB1 (0.43) LMNABDKRB1PTGER3SMN1; SMN2HPGD
SCHEMBL645088 0.77 BDKRB1 (0.58) BDKRB1SMN1; SMN2OPRL1PKMTSHR
SCHEMBL644136 0.76 L3MBTL1 (0.41) LMNASMN1; SMN2HPGDOPRL1MAPT
SCHEMBL2310236 0.74 ADRA2A (0.46) HPGDOPRL1MAPTPOLBL3MBTL1
SCHEMBL644135 0.73 L3MBTL1 (0.42) HPGDOPRL1TSHRALDH1A1L3MBTL1
SCHEMBL492796 0.73 HTR7 (0.39) LMNASMN1; SMN2OPRL1POLBPKM
SCHEMBL493108 0.72 GAA (0.42) LMNABDKRB1SMN1; SMN2OPRL1POLB

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 LMNA 2721/4885BDKRB1 1566/4885PTGER3 664/4885

“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.