SCHEMBL4197110

SCHEMBL4197110

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

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 2/20 0.37
CYP3A4 P08684 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BACE1 P56817 1/20 0.33
BTN3A1 O00481 4/20 0.32
MAPT P10636 1/20 0.31
DUT P33316 1/20 0.31

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
SCHEMBL4183896 1.00 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2BACE1
SCHEMBL4190567 1.00 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2BACE1
SCHEMBL4197217 0.81 ALDH1A1 (0.39) BACE1BTN3A1MAPT
SCHEMBL4185504 0.80 CYP19A1 (0.32)
SCHEMBL4185511 0.80 CYP19A1 (0.32)
SCHEMBL4196906 0.80 CYP19A1 (0.32)
SCHEMBL13094532 0.80 KLK7 (0.36) CYP3A4HTTSMN1; SMN2MAPT
SCHEMBL16147725 0.80 KLK7 (0.36) CYP3A4HTTSMN1; SMN2MAPT
SCHEMBL14503044 0.80 PRSS1 (0.40)
SCHEMBL6599500 0.79 DUT (0.30) DUT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090018342-A1 NEW EPOTHIOLONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR PHARMACEUTICAL USE KLAR ULRICH 2009-01-15 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
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 (3 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 SMYD2 4494/4885CYP3A4 872/4885HTT 3392/4885
US-20030144523-A1 EPOTHILONE DERIVATIVES, METHOD FOR PRODUCING SAME AND THEIR PHARMACEUTICAL USE TUBB1, TUBA1C, TUBB4A SMYD2 3810/4885CYP3A4 989/4885HTT 2800/4885
US-20090018342-A1 NEW EPOTHIOLONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR PHARMACEUTICAL USE TUBB4A, TUBA1B, TUBB SMYD2 4182/4885CYP3A4 1341/4885HTT 2650/4885

“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.