SCHEMBL1775879

SCHEMBL1775879

CCOC(C)Cn1c(N)c(N=O)c(=O)[nH]c1=S

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.33
MPO P05164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.31
CASP6 P55212 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
SCHEMBL1778405 0.85 OPRM1 (0.34) OPRM1MPOSMN1; SMN2
SCHEMBL1962737 0.85 SMN1; SMN2 (0.41) OPRM1MPOSMN1; SMN2CASP6
SCHEMBL562680 0.74 MAPK10 (0.47) CASP6
SCHEMBL1959860 0.74 ALDH1A1 (0.41) OPRM1MPOSMN1; SMN2CASP6
SCHEMBL1774871 0.73 MTNR1A (0.46) MPOSMN1; SMN2
SCHEMBL1958334 0.72 L3MBTL1 (0.50) CASP6
SCHEMBL1774519 0.71 MPO (0.53) OPRM1MPO
SCHEMBL1775931 0.71 MPO (0.53) OPRM1MPO
SCHEMBL1776729 0.71 MPO (0.53) OPRM1MPO
SCHEMBL1946869 0.70 KDM4E (0.56) SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7943625-B2 Myeloperoxidase inhibitors; neuroinflammatory disorders; COPD; 3-(2-Ethoxy-2-methylpropyl)-2-thioxanthine ASTRAZENECA AB (SE) 2011-05-17 US disclosed
US-20090131459-A1 2-Thioxanthine Derivatives Acting as MPO-Inhibitors ASTRAZENECA AB (SE) 2009-05-21 US disclosed
US-20080221133-A1 Compounds ASTRAZENECA AB (SE) 2008-09-11 US 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-20090131459-A1 2-Thioxanthine Derivatives Acting as MPO-Inhibitors MPO, SERPINB1, XDH OPRM1 587/4885MPO 1/4885SMN1; SMN2 3050/4885
US-20080221133-A1 Compounds C1R, C1S, AKR1C3 OPRM1 1235/4885MPO 1502/4885SMN1; SMN2 503/4885

“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.