SCHEMBL644486

SCHEMBL644486

COC(=O)C1Cc2ccccc2N1S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
NPSR1 Q6W5P4 2/20 0.52
MMP1 P03956 4/20 0.50
MMP9 P14780 4/20 0.50
MMP13 P45452 4/20 0.50
ADAM17 P78536 4/20 0.50
PKM P14618 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
NPC1 O15118 1/20 0.50
LMNA P02545 3/20 0.49
GAA P10253 2/20 0.49
KMT2A Q03164 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MMP2 P08253 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL8380984 0.89 ALDH1A1 (0.53) ALDH1A1NPSR1MMP1MMP9MMP13
SCHEMBL644252 0.89 ALDH1A1 (0.53) ALDH1A1NPSR1MMP1MMP9MMP13
SCHEMBL2519677 0.89 ESR1 (0.56) ALDH1A1NPSR1TDP1LMNAGAA
SCHEMBL2519672 0.89 ESR1 (0.56) ALDH1A1NPSR1TDP1LMNAGAA
SCHEMBL926563 0.89 NPSR1 (0.48) ALDH1A1NPSR1MMP1MMP9MMP13
SCHEMBL8384891 0.88 MMP1 (0.61) MMP1MMP9MMP13ADAM17MMP2
SCHEMBL6010342 0.88 MMP1 (0.61) MMP1MMP9MMP13ADAM17MMP2
SCHEMBL3588564 0.86 LMNA (0.47) ALDH1A1NPSR1LMNAGAAKMT2A
SCHEMBL2519245 0.86 ALDH1A1 (0.53) ALDH1A1NPSR1MMP1MMP9MMP13
SCHEMBL2519247 0.86 ALDH1A1 (0.53) ALDH1A1NPSR1MMP1MMP9MMP13

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 ALDH1A1 511/4885NPSR1 39/4885MMP1 3578/4885

“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.