SCHEMBL643276

SCHEMBL643276

CN(C)C(c1ccccc1)C1CCC(NC(=O)CCCCN(C)S(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
FASN P49327 1/20 0.37
POLB P06746 1/20 0.35
EPHX1 P07099 1/20 0.35
BDKRB1 P46663 1/20 0.35
ICMT O60725 1/20 0.35
ALB P02768 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 3/20 0.35
EPHX2 P34913 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
ENPP2 Q13822 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL646485 0.99 BCHE (0.40) BCHEACHEFASNPOLBEPHX1
SCHEMBL2489242 0.89 ICMT (0.35) ICMTALBL3MBTL1
SCHEMBL644640 0.88 HDAC3 (0.36) HDAC3HDAC1HDAC2HDAC6
SCHEMBL645438 0.87 HDAC3 (0.37) HDAC3HDAC1HDAC2HDAC6
SCHEMBL492815 0.86 BDKRB1 (0.36) POLBBDKRB1ALDH1A1CYP3A4HPGD
SCHEMBL492647 0.86 RAB9A (0.34) POLBRAB9AALDH1A1CYP3A4HPGD
SCHEMBL644329 0.85 CACNA2D1 (0.37) BCHEACHEEPHX1BDKRB1ICMT
SCHEMBL493265 0.82 BDKRB1 (0.35) POLBBDKRB1ALDH1A1CYP3A4HPGD
SCHEMBL2489881 0.81 LMNA (0.35) RAB9AALDH1A1
SCHEMBL492775 0.80 ALDH1A1 (0.37) POLBALDH1A1CYP3A4HPGDL3MBTL1

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 3 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
US-20080312231-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-12-18 US 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 BCHE 4192/4885ACHE 429/4885FASN 353/4885

“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.