SCHEMBL3149200

SCHEMBL3149200

COC(=O)C(CN1CC[C@H](CNC(=O)OC(C)(C)C)C1)c1c(F)ccc2ccc(OC)nc12

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 11/20 0.38
ACACA Q13085 8/20 0.38
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37
SUV39H2 Q9H5I1 1/20 0.37
DDR1 Q08345 1/20 0.36
DRD2 P14416 1/20 0.36
KCNH2 Q12809 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35

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
SCHEMBL3154917 1.00 ACACB (0.38) ACACBACACACKS1BSKP1SKP2
SCHEMBL4797081 0.89 CKS1B (0.37) ACACBACACACKS1BSKP1SKP2
SCHEMBL3158158 0.89 SLC2A1 (0.36) CKS1BSKP1SKP2DRD2KCNH2
SCHEMBL3158168 0.89 SLC2A1 (0.36) CKS1BSKP1SKP2DRD2KCNH2
SCHEMBL3148938 0.85 SLC2A1 (0.41) CKS1BSKP1SKP2KCNH2
SCHEMBL3149998 0.85 KCNH2 (0.36) KCNH2
SCHEMBL1076139 0.85 SLC2A1 (0.42) ACACBACACACKS1BSKP1SKP2
SCHEMBL1076141 0.85 SLC2A1 (0.42) ACACBACACACKS1BSKP1SKP2
SCHEMBL3149203 0.82 CKS1B (0.40) ACACBACACACKS1BSKP1SKP2
SCHEMBL13315179 0.80 KCNH2 (0.45) KCNH2

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 11 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-20100137353-A1 TRICYCLIC COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2010-06-03 US disclosed
EP-2176262-A1 TRICYCLIC COMPOUNDS AS ANTIBACTERIALS Glaxo Group Limited (GB) 2010-04-21 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
WO-2008128962-A1 TRICYCLIC COMPOUNDS AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2008-10-30 WO 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
EP-1954697-A2 PERI CONDENSED TRICYCLIC COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2008-08-13 EP disclosed
WO-2007081597-A2 PERI CONDENSED TRICYCLIC COMPOUNDS USEFUL AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2007-07-19 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 (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-20080221110-A1 Compounds NRDC, NISCH, MRPL21 ACACB 1334/4885ACACA 1426/4885CKS1B 2649/4885
US-20100137353-A1 TRICYCLIC COMPOUNDS AS ANTIBACTERIALS NRDC, NACA, NOP2 ACACB 2747/4885ACACA 2693/4885CKS1B 1829/4885
US-20100048544-A1 PYRROLO (3, 2, 1-IJ) QUINOLINE-4-ONE-DERIVATIVES FOR TREATING TUBERCULOSIS NQO2, MT-ND1, SDHB ACACB 1755/4885ACACA 2422/4885CKS1B 1345/4885
US-20080280892-A1 Compounds NRDC, NACA, NAA50 ACACB 2421/4885ACACA 2308/4885CKS1B 2654/4885

“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.