SCHEMBL3533245

SCHEMBL3533245

COc1nn[s+]([O-])c1OC

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL9638686 0.56 CYP1A2 (0.31) CYP1A2
SCHEMBL12631734 0.54
SCHEMBL10924842 0.53
SCHEMBL2292104 0.48 CYP1A2 (0.35) ALDH1A1CYP1A2CYP2C19
SCHEMBL5537467 0.47
SCHEMBL4864975 0.46 MAPT (0.44) ALDH1A1CYP1A2CYP2C19
SCHEMBL8213378 0.39 ALDH1A1 (0.44) ALDH1A1
Methoxymethane SCHEMBL108410 0.38 LMNA (0.43) ALDH1A1CYP1A2
SCHEMBL21898089 0.36
SCHEMBL646200 0.36

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691856-B2 Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands SCHERING CORPORATION (US) 2010-04-06 US disclosed
EP-1551818-B1 THIADIAZOLEDIOXIDES AND THIADIAZOLEOXIDES AS CXC- AND CC-CHEMOKINE RECEPTOR LIGANDS SCHERING CORP (US) 2009-02-04 EP disclosed
US-20070264230-A1 Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands SCHERING CORPORATION 2007-11-15 US disclosed
EP-1551818-A1 THIADIAZOLEDIOXIDES AND THIADIAZOLEOXIDES AS CXC- AND CC-CHEMOKINE RECEPTOR LIGANDS Pharmacopeia Drug Discovery, Inc. (US) 2005-07-13 EP disclosed
US-20040186142-A1 Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC- chemokine receptor ligands SCHERING CORPORATION PHARMACOPEIA, INC. 2004-09-23 US disclosed
WO-2004033440-A1 THIADIAZOLEDIOXIDES AND THIADIAZOLEOXIDES AS CXC- AND CC-CHEMOKINE RECEPTOR LIGANDS SCHERING CORPORATION (US) 2004-04-22 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 (2 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-20040186142-A1 Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC- chemokine receptor ligands CXCR1, CCR2, CX3CR1 ALDH1A1 254/4885CYP1A2 833/4885CYP2C19 615/4885
US-20070264230-A1 Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC-chemokine receptor ligands CXCR1, CCR2, CX3CR1 ALDH1A1 348/4885CYP1A2 1056/4885CYP2C19 738/4885

“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.