SCHEMBL2937209

SCHEMBL2937209

CC(=O)OCc1cc(OS(=O)(=O)C(F)(F)F)c(OCCNC(=O)OC(C)(C)C)cn1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.40
CA1 P00915 5/20 0.40
CA2 P00918 5/20 0.40
CA9 Q16790 5/20 0.40
SCN9A Q15858 1/20 0.38
PDK2 Q15119 1/20 0.36
IDO1 P14902 2/20 0.35
AXL P30530 2/20 0.33
NQO2 P16083 1/20 0.32
STK17B O94768 1/20 0.32
STK17A Q9UEE5 1/20 0.32
CKS1B P61024 1/20 0.32
SKP1 P63208 1/20 0.32
SKP2 Q13309 1/20 0.32

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
SCHEMBL4134425 0.96 CA12 (0.40) CA12CA1CA2CA9SCN9A
SCHEMBL4439958 0.84 CA12 (0.44) CA12CA1CA2CA9SCN9A
SCHEMBL4439952 0.83 CA12 (0.43) CA12CA1CA2CA9SCN9A
SCHEMBL4149554 0.82 IDO1 (0.47) CA12CA1CA2CA9SCN9A
SCHEMBL4140584 0.82 CA12 (0.43) CA12CA1CA2CA9SCN9A
SCHEMBL4335153 0.80 CA12 (0.44) CA12CA1CA2CA9SCN9A
SCHEMBL4135777 0.79 HSD11B1 (0.33)
SCHEMBL4335148 0.79 CA12 (0.43) CA12CA1CA2CA9SCN9A
SCHEMBL2767190 0.73 ALDH1A1 (0.45)
SCHEMBL21632365 0.70 CA1 (0.53) CA12CA1CA2CA9PDK2

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
EP-2136807-B1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE DERIVATIVES FOR TREATING TUBERCULOSIS GLAXO GROUP LTD (GB) 2010-11-03 EP disclosed
EP-2001887-B1 PYRROLO-QUINOXALINONE DERIVATIVES AS ANTIBACTERIALS GLAXO GROUP LTD (GB) 2010-09-15 EP disclosed
US-7709483-B2 Pyrrolo-quinoxalinone derivatives as antibacterials GLAXO GROUP LIMITED (GB) 2010-05-04 US 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-20090062265-A1 Pyrrolo-Quinoxalinone Derivatives as Antibacterials GLAXO GROUP LIMITED (GB) 2009-03-05 US 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 (4 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-20090062265-A1 Pyrrolo-Quinoxalinone Derivatives as Antibacterials NQO2, PPOX, ASNS CA12 4795/4885CA1 4662/4885CA2 3687/4885
US-20080221110-A1 Compounds NRDC, NISCH, MRPL21 CA12 2476/4885CA1 4162/4885CA2 2149/4885
US-20100048544-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE-DERIVATIVES FOR TREATING TUBERCULOSIS NQO2, MT-ND1, SDHB CA12 4783/4885CA1 4811/4885CA2 3786/4885
US-20080280892-A1 Compounds NRDC, NACA, NAA50 CA12 2814/4885CA1 3956/4885CA2 2527/4885

“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.