SCHEMBL644906

SCHEMBL644906

COC(=O)CC1c2ccccc2CCN1S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.56
TAS2R14 Q9NYV8 2/20 0.52
MMP1 P03956 7/20 0.52
MMP9 P14780 4/20 0.52
MMP2 P08253 3/20 0.52
MMP12 P39900 3/20 0.52
MMP14 P50281 3/20 0.52
MMP15 P51511 3/20 0.52
MMP16 P51512 3/20 0.52
MMP26 Q9NRE1 3/20 0.52
MMP7 P09237 3/20 0.52
ALDH1A1 P00352 2/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.51
RECQL P46063 1/20 0.51
USP2 O75604 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL2493345 0.90 TAS2R14 (0.55) THRBSMN1; SMN2TAS2R14MMP1MMP9
SCHEMBL643279 0.85 BDKRB1 (0.58) THRBSMN1; SMN2MMP1ALDH1A1LMNA
SCHEMBL20788125 0.81 OPRM1 (0.59) MMP1MMP9MMP2MMP12MMP14
SCHEMBL14427161 0.80 MMP1 (0.76) MMP1MMP9MMP2MMP12MMP14
SCHEMBL8802699 0.79 MMP1 (0.58) TAS2R14MMP1MMP9MMP2MMP12
SCHEMBL3302250 0.77 MMP1 (0.57) SMN1; SMN2TAS2R14MMP1MMP9MMP2
SCHEMBL14427251 0.77 MMP1 (0.57) SMN1; SMN2TAS2R14MMP1MMP9MMP2
SCHEMBL644670 0.77 BDKRB1 (0.47) THRBSMN1; SMN2TAS2R14MMP1MMP9
SCHEMBL14427250 0.77 MMP1 (0.72) MMP1MMP9MMP2MMP12MMP14
SCHEMBL8274070 0.77 MMP1 (0.72) MMP1MMP9MMP2MMP12MMP14

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 THRB 3184/4885SMN1; SMN2 48/4885TAS2R14 976/4885

“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.