SCHEMBL5881237

SCHEMBL5881237

COc1ccc(COC(C)C2CO2)cc1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.44
AGXT P21549 2/20 0.44
OGA O60502 1/20 0.43
SLC6A4 P31645 1/20 0.42
APP P05067 3/20 0.40
MAOB P27338 1/20 0.39

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
SCHEMBL11961364 0.81 SLC6A2 (0.41) OGASLC6A4
SCHEMBL6133472 0.81 SLC6A2 (0.41) OGASLC6A4
SCHEMBL8588353 0.81 SLC6A2 (0.41) OGASLC6A4
SCHEMBL7849263 0.81 SLC6A2 (0.41) OGASLC6A4
SCHEMBL11961363 0.81 SLC6A2 (0.41) OGASLC6A4
SCHEMBL31362924 0.78 IDO1 (0.42) IDO1AGXTSLC6A4APPMAOB
SCHEMBL2610461 0.75 IDO1 (0.57) IDO1AGXTSLC6A4APPMAOB
SCHEMBL28733900 0.75 FFAR1 (0.39) IDO1AGXTAPP
SCHEMBL28733903 0.75 FFAR1 (0.39) IDO1AGXTAPP
SCHEMBL28733902 0.75 FFAR1 (0.39) IDO1AGXTAPP

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-6989450-B2 Synthesis of epothilones and related analogs THE UNIVERSITY OF MISSISSIPPI (US) 2006-01-24 US disclosed
EP-1414384-A4 SYNTHESIS OF EPOTHILONES AND RELATES ANALOGS UNIV MISSISSIPPI (US) 2005-07-27 EP disclosed
EP-1414384-A2 SYNTHESIS OF EPOTHILONES AND RELATES ANALOGS The University of Mississippi (US) 2004-05-06 EP disclosed
US-20020091269-A1 Synthesis of epothilones and related analogs TAPESTRY PHARMACEUTICALS, INC. 2002-07-11 US disclosed
WO-2002030356-A2 SYNTHESIS OF EPOTHILONES AND RELATES ANALOGS THE UNIVERSITY OF MISSISSIPI (US) 2002-04-18 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-20020091269-A1 Synthesis of epothilones and related analogs DHPS, SQLE, FDFT1 IDO1 3778/4885AGXT 723/4885OGA 1804/4885

“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.