SCHEMBL6176426

SCHEMBL6176426

CCOC(=O)C(C(=O)OCC)c1ccnc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
POLB P06746 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
HIF1A Q16665 2/20 0.43
MAPT P10636 2/20 0.42
PRNP P04156 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MMP8 P22894 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.41
ELANE P08246 1/20 0.41
CYP2D6 P10635 4/20 0.41
OPRD1 P41143 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41

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
SCHEMBL1038019 0.81 GAA (0.45) KDM4EPOLBMAPTPRNPL3MBTL1
SCHEMBL22345550 0.78 PRNP (0.44) KDM4EGLAPOLBCYP1A2CYP2C9
SCHEMBL27718336 0.77 CYP2D6 (0.42) KDM4EGLAPOLBCYP1A2CYP2C9
SCHEMBL1578636 0.77 MEN1 (0.43) KDM4EGLAPOLBCYP1A2CYP2C9
SCHEMBL27487557 0.76 MEN1 (0.43) KDM4EGLAPOLBCYP1A2CYP2C9
SCHEMBL13957539 0.76 LOXL2 (0.46) KDM4EGLAPOLBCYP1A2CYP2C9
SCHEMBL29523397 0.76 NUDT1 (0.57) KDM4EPOLBMAPTL3MBTL1MEN1
SCHEMBL1768671 0.76 NUDT1 (0.57) KDM4EPOLBMAPTL3MBTL1MEN1
SCHEMBL1433197 0.75 ALDH1A1 (0.53) KDM4EPOLBL3MBTL1MMP8KMT2A
SCHEMBL28103382 0.75 LOXL2 (0.43) KDM4EPOLBCYP1A2CYP2C9MAPT

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
EP-1392280-A4 ARYLSULFONAMIDE ETHERS, AND METHODS OF USE THEREOF WARNER LAMBERT CO (US) 2005-11-30 EP disclosed
US-6875765-B2 Arylsulfonamide ethers, and methods of use thereof WARNER-LAMBERT COMPANY (US) 2005-04-05 US disclosed
EP-1392280-A2 ARYLSULFONAMIDE ETHERS, AND METHODS OF USE THEREOF Abbott GmbH & Co. KG (DE) 2004-03-03 EP disclosed
US-20030096826-A1 Arylsulfonamide ethers, and methods of use thereof WARNER-LAMBERT COMPANY 2003-05-22 US disclosed
WO-2002089749-A2 ARYLSULFONAMIDE ETHERS, AND METHODS OF USE THEREOF ABBOTT GMBH & CO.KG (DE) 2002-11-14 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-20030096826-A1 Arylsulfonamide ethers, and methods of use thereof CASP1, IRAK1, STS KDM4E 1557/4885GLA 918/4885POLB 4412/4885

“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.