SCHEMBL275979

SCHEMBL275979

O=Cc1cc(Cl)ccc1OC1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.42
SYK P43405 1/20 0.42
ERN1 O75460 1/20 0.40
PDE4D Q08499 6/20 0.39
PDE4A P27815 5/20 0.39
PDE4B Q07343 5/20 0.39
PDE4C Q08493 5/20 0.39
KAT2B Q92831 1/20 0.39
BAZ2B Q9UIF8 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
VEGFA P15692 1/20 0.38
P2RX3 P56373 1/20 0.37
NR1I2 O75469 1/20 0.37
HSD11B1 P28845 1/20 0.37

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
SCHEMBL14784352 0.88 ERN1 (0.44) ERN1PDE4BTDP1MEN1KMT2A
SCHEMBL7662729 0.86 POLB (0.45) ERN1PDE4DPDE4APDE4BPDE4C
SCHEMBL275626 0.85 POLB (0.44) ERN1PDE4DPDE4APDE4BPDE4C
SCHEMBL275938 0.82 CACNB4 (0.41) CHEK1ERN1TDP1MEN1KMT2A
SCHEMBL274642 0.82 ERN1 (0.40) ERN1PDE4BTDP1MEN1KMT2A
SCHEMBL275678 0.82 SYK (0.45) SYKPDE4DPDE4APDE4BPDE4C
SCHEMBL275132 0.82 PTGDR2 (0.44) SYKERN1PDE4DPDE4APDE4B
SCHEMBL274889 0.82 SYK (0.42) SYKERN1PDE4DPDE4APDE4B
SCHEMBL2424456 0.79 MEN1 (0.45) ERN1MEN1KMT2A
SCHEMBL8115816 0.78 KAT2B (0.52) SYKPDE4DPDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8217051-B2 Spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2012-07-10 US disclosed
US-8217051-B2 Spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2012-07-10 US disclosed
US-8217051-B2 Spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2012-07-10 US disclosed
US-8134001-B2 Spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2012-03-13 US disclosed
US-8134001-B2 Spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2012-03-13 US disclosed
US-8134001-B2 Spiroindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2012-03-13 US disclosed
EP-2398801-A1 3, 3' -SPIROINDOLINONE DERIVATIVES AS ANTICANCER AGENTS F. Hoffmann-La Roche AG (CH) 2011-12-28 EP disclosed
EP-2229396-B1 SPIROINDOLINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-08-10 EP disclosed
EP-2229396-A1 SPIROINDOLINONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-09-22 EP disclosed
WO-2010094622-A1 3, 3' -SPIROINDOLINONE DERIVATIVES AS ANTICANCER AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-26 WO disclosed
US-20100210674-A1 Spiroindolinone Derivatives HOFFMANN-LA ROCHE INC. 2010-08-19 US disclosed
US-20100210674-A1 Spiroindolinone Derivatives HOFFMANN-LA ROCHE INC. 2010-08-19 US disclosed
US-20100210674-A1 Spiroindolinone Derivatives HOFFMANN-LA ROCHE INC. 2010-08-19 US disclosed
WO-2009077357-A1 SPIROINDOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 WO disclosed
US-20090156610-A1 Spiroindolinone Derivatives DING QINGJIE 2009-06-18 US disclosed
US-20090156610-A1 Spiroindolinone Derivatives DING QINGJIE 2009-06-18 US disclosed
US-20090156610-A1 Spiroindolinone Derivatives DING QINGJIE 2009-06-18 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-20090156610-A1 Spiroindolinone Derivatives SDHA, AR, XPOT CHEK1 1135/4885SYK 2511/4885ERN1 2608/4885
US-20100210674-A1 Spiroindolinone Derivatives RCC2, PKD1, SIK2 CHEK1 410/4885SYK 1901/4885ERN1 1142/4885

“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.