Sugi Predict

Sugi Predict / Compounds / SCHEMBL644218

SCHEMBL644218

SCHEMBL644218

CN(C)C(c1ccc(F)cc1)C1CCC(NC(=O)CC2c3ccccc3CCN2S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BDKRB1 P46663 10/20 0.60
▸ THRB P10828 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ OPRM1 P35372 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ OPRL1 P41146 1/20 0.38
▸ PKM P14618 1/20 0.37
▸ OPRD1 P41143 1/20 0.36

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
SCHEMBL642922 0.94 BDKRB1 (0.62) BDKRB1THRBSMN1; SMN2OPRM1OPRK1
SCHEMBL645088 0.93 BDKRB1 (0.58) BDKRB1THRBSMN1; SMN2OPRM1OPRK1
SCHEMBL642866 0.90 BDKRB1 (0.53) BDKRB1THRBSMN1; SMN2OPRM1OPRK1
SCHEMBL643081 0.89 BDKRB1 (0.54) BDKRB1THRBSMN1; SMN2OPRM1OPRK1
SCHEMBL642875 0.88 THRB (0.50) BDKRB1THRBSMN1; SMN2PKM
SCHEMBL643876 0.84 BDKRB1 (0.54) BDKRB1THRBSMN1; SMN2OPRM1OPRK1
SCHEMBL643955 0.84 BDKRB1 (0.56) BDKRB1THRBSMN1; SMN2OPRM1OPRK1
SCHEMBL643924 0.84 BDKRB1 (0.52) BDKRB1THRBSMN1; SMN2OPRM1OPRK1
SCHEMBL644156 0.83 BDKRB1 (0.55) BDKRB1THRBSMN1; SMN2OPRM1OPRK1
SCHEMBL644089 0.82 BDKRB1 (0.53) BDKRB1THRBSMN1; SMN2OPRM1OPRK1

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 BDKRB1 1566/4885THRB 3184/4885SMN1; SMN2 48/4885

“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.