SCHEMBL183914

SCHEMBL183914

CC(C)(C)[Si](O[C@@H]1CCOC1=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 6/20 0.38
HPGD P15428 5/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 6/20 0.38
POLB P06746 3/20 0.38
GAA P10253 3/20 0.38
MAPK1 P28482 4/20 0.38
BACE1 P56817 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35

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
SCHEMBL183915 1.00 KDM4E (0.41) KDM4ECYP1A2CYP2C19ALDH1A1HPGD
SCHEMBL826279 1.00 KDM4E (0.41) KDM4ECYP1A2CYP2C19ALDH1A1HPGD
SCHEMBL6121758 0.78 BACE1 (0.37) MAPTBACE1SMN1; SMN2
SCHEMBL9029731 0.77 SMYD2 (0.43) KDM4ECYP1A2CYP2C19ALDH1A1HPGD
SCHEMBL16225349 0.77 SMYD2 (0.43) KDM4ECYP1A2CYP2C19ALDH1A1HPGD
SCHEMBL1526525 0.75 POLB (0.37) KDM4ECYP1A2CYP2C19ALDH1A1HPGD
SCHEMBL1526521 0.75 POLB (0.37) KDM4ECYP1A2CYP2C19ALDH1A1HPGD
SCHEMBL23274996 0.74 SMYD2 (0.36) BACE1SMN1; SMN2
SCHEMBL22749583 0.74 SMYD2 (0.36) BACE1SMN1; SMN2
SCHEMBL25280121 0.74 BACE1 (0.37) BACE1SMN1; SMN2

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 70 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841282-B2 Pyrrolidinone benzenesulfonamide derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-23 US disclosed
US-8841282-B2 Pyrrolidinone benzenesulfonamide derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-23 US disclosed
US-8841282-B2 Pyrrolidinone benzenesulfonamide derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-23 US disclosed
US-20130338119-A1 Pyrrolidinone Benzenesulfonamide Derivatives as Modulators of Ion Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-12-19 US disclosed
US-8586589-B2 Piperidine and piperazine phenyl sulfonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-19 US disclosed
US-8586589-B2 Piperidine and piperazine phenyl sulfonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-19 US disclosed
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-07 US disclosed
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-07 US disclosed
US-8343763-B2 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-01 US disclosed
US-8343763-B2 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-01 US disclosed
US-7407975-B2 Epothilone derivatives, method for producing same and their pharmaceutical use BAYER SCHERING PHARMA AG (DE) 2008-08-05 US disclosed
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-01-31 US disclosed
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-01-31 US disclosed
EP-1847540-A1 Nouveaux dérivés d'épothilone, leur procédé de production et leur utilisation pharmaceutique Bayer Schering Pharma Aktiengesellschaft (DE) 2007-10-24 EP disclosed
EP-1005465-B1 NEW EPOTHILONE DERIVATIVES, METHOD FOR PRODUCING SAME AND THEIR PHARMACEUTICAL USE BAYER SCHERING PHARMA AG (DE) 2007-07-25 EP disclosed
US-20060040990-A1 Epothilone derivatives, process for their production, and their pharmaceutical use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-02-23 US disclosed
US-7001916-B1 Epothilon derivatives, method for the production and the use thereof as pharmaceuticals SCHERING, AG (DE) 2006-02-21 US disclosed
US-20030144523-A1 EPOTHILONE DERIVATIVES, METHOD FOR PRODUCING SAME AND THEIR PHARMACEUTICAL USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2003-07-31 US disclosed
EP-1161430-A2 EPOTHILON DERIVATIVES, METHOD FOR THE PRODUCTION AND THE USE THEREOF AS PHARMACEUTICALS SCHERING AKTIENGESELLSCHAFT (DE) 2001-12-12 EP disclosed
WO-2000047584-A2 EPOTHILON DERIVATIVES, METHOD FOR THE PRODUCTION AND THE USE THEREOF AS PHARMACEUTICALS SCHERING AKTIENGESELLSCHAFT (DE) 2000-08-17 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 (5 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-20060040990-A1 Epothilone derivatives, process for their production, and their pharmaceutical use PTGIS, PTGES, PTGES2 KDM4E 3566/4885CYP1A2 541/4885CYP2C19 886/4885
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels TRPV1, KCNJ2, KCNN3 KDM4E 2958/4885CYP1A2 2124/4885CYP2C19 2375/4885
US-20030144523-A1 EPOTHILONE DERIVATIVES, METHOD FOR PRODUCING SAME AND THEIR PHARMACEUTICAL USE TUBB1, TUBA1C, TUBB4A KDM4E 4165/4885CYP1A2 427/4885CYP2C19 1714/4885
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels TRPV1, TRPV5, TRPA1 KDM4E 1716/4885CYP1A2 2759/4885CYP2C19 3457/4885
US-20130338119-A1 Pyrrolidinone Benzenesulfonamide Derivatives as Modulators of Ion Channels KCNJ2, KCNN2, KCNJ1 KDM4E 1557/4885CYP1A2 2953/4885CYP2C19 3266/4885

“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.