SCHEMBL3144908

SCHEMBL3144908

O=Cc1cnc2c(c1)SCCO2

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 2/20 0.31
WNT3A P56704 2/20 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
SCHEMBL13459877 0.75 CYP1A2 (0.32)
SCHEMBL3155087 0.74 CTNNB1 (0.31) CTNNB1WNT3A
SCHEMBL2797568 0.73 ALDH1A1 (0.39)
SCHEMBL29955238 0.73 ALDH1A1 (0.39)
SCHEMBL585779 0.72
SCHEMBL15969130 0.70 ALDH1A1 (0.49) CTNNB1WNT3A
SCHEMBL29957430 0.69 GRM1 (0.37) CTNNB1WNT3A
SCHEMBL21382866 0.68 ALDH1A1 (0.50) CTNNB1WNT3A
SCHEMBL578979 0.68 CTNNB1 (0.36) CTNNB1WNT3A
SCHEMBL578818 0.68 CTNNB1 (0.36) CTNNB1WNT3A

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
EP-2136807-B1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE DERIVATIVES FOR TREATING TUBERCULOSIS GLAXO GROUP LTD (GB) 2010-11-03 EP disclosed
US-20100048544-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE-DERIVATIVES FOR TREATING TUBERCULOSIS GLAXO GROUP LIMITED (GB) 2010-02-25 US disclosed
EP-1954697-B1 PERI CONDENSED TRICYCLIC COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2010-02-24 EP disclosed
US-20080280892-A1 Compounds GLAXO GROUP LIMITED (GB) 2008-11-13 US disclosed
EP-1980251-A1 Pyrrolo[3,2,1-ij]quinoline-4-one derivatives for treating tuberculosis GLAXO GROUP LIMITED (GB) 2008-10-15 EP disclosed
US-20080221110-A1 Compounds GLAXO GROUP LIMITED (GB) 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 (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-20080221110-A1 Compounds NRDC, NISCH, MRPL21 CTNNB1 3786/4885WNT3A 4441/4885
US-20100048544-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE-DERIVATIVES FOR TREATING TUBERCULOSIS NQO2, MT-ND1, SDHB CTNNB1 3108/4885WNT3A 3564/4885
US-20080280892-A1 Compounds NRDC, NACA, NAA50 CTNNB1 2946/4885WNT3A 4196/4885

“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.