SCHEMBL643338

SCHEMBL643338

CCOC(=O)CC1C(=O)NCCN1S(=O)(=O)c1ccc(Cl)cc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 1.00
CYP3A4 P08684 2/20 0.79
CYP2C19 P33261 2/20 0.79
CYP2D6 P10635 1/20 0.79
CYP2C9 P11712 1/20 0.79
ALDH1A1 P00352 5/20 0.75
GAA P10253 1/20 0.71
MAPT P10636 3/20 0.66
POLB P06746 2/20 0.66
KMT2A Q03164 3/20 0.64
MEN1 O00255 1/20 0.64
RAB9A P51151 1/20 0.64
ATM Q13315 1/20 0.64
BDKRB1 P46663 1/20 0.51
LMNA P02545 1/20 0.47

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
SCHEMBL5256359 0.86 ALDH1A1 (1.00) HTTCYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL644293 0.86 HTT (0.74) HTTCYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL4521821 0.74 KMT2A (1.00) HTTCYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL644080 0.71 HTT (0.55) HTTCYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL12569137 0.71 TSHR (0.68) HTTCYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL4513013 0.70 ALDH1A1 (0.72) HTTCYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL4513008 0.70 ALDH1A1 (0.72) HTTCYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL642993 0.70 BDKRB1 (0.54) HTTCYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL4526157 0.69 ALDH1A1 (0.77) HTTCYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL4526154 0.69 ALDH1A1 (0.77) HTTCYP3A4CYP2C19CYP2D6CYP2C9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.