Sugi Predict

Sugi Predict / Compounds / SCHEMBL644080

SCHEMBL644080

SCHEMBL644080

O=C1NCCN(S(=O)(=O)c2ccc(Cl)cc2Cl)C1CC(=O)N1CCC(C(c2ccccc2)N2CCOCC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.55
▸ CYP3A4 P08684 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ BDKRB1 P46663 2/20 0.43
▸ CACNA2D1 P54289 3/20 0.40
▸ CACNA1B Q00975 3/20 0.40
▸ CACNB1 Q02641 3/20 0.40
▸ CACNA1C Q13936 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ GAA P10253 1/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ POLB P06746 1/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ LMNA P02545 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
SCHEMBL645135 0.88 HTT (0.51) HTTCYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL642965 0.87 HTT (0.49) HTTCYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL642993 0.81 BDKRB1 (0.54) HTTCYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL643339 0.80 HTT (0.51) HTTCYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL643075 0.80 HTT (0.49) HTTCYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL644127 0.79 HTT (0.53) HTTCYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL644293 0.76 HTT (0.74) HTTCYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL643334 0.76 BDKRB1 (0.49) HTTCYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL643120 0.75 HTT (0.47) HTTCYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL644098 0.72 BDKRB1 (0.56) BDKRB1ALDH1A1POLB

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 HTT 1796/4885CYP3A4 351/4885CYP2C19 63/4885

“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.