SCHEMBL1018574

SCHEMBL1018574

COCOc1cc(OCOC)c(C(C)C)cc1C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.41
AURKA O14965 1/20 0.41
DAPK3 O43293 1/20 0.41
JAK2 O60674 1/20 0.41
ABL1 P00519 1/20 0.41
NTRK1 P04629 1/20 0.41
FYN P06241 1/20 0.41
CSF1R P07333 1/20 0.41
RET P07949 1/20 0.41
IGF1R P08069 1/20 0.41
MET P08581 1/20 0.41
PDGFRB P09619 1/20 0.41
PIM1 P11309 1/20 0.41
FGFR1 P11362 1/20 0.41
PRKACA P17612 1/20 0.41
LTK P29376 1/20 0.41
GRK5 P34947 1/20 0.41
KDR P35968 1/20 0.41
MAP2K2 P36507 1/20 0.41
MAPK8 P45983 1/20 0.41

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
SCHEMBL12726581 0.92 TDP1 (0.38) CHEK1AURKADAPK3JAK2ABL1
SCHEMBL12766090 0.92 THRA (0.38) CHEK1AURKADAPK3JAK2ABL1
SCHEMBL1019663 0.90 FLT3 (0.40) CHEK1AURKADAPK3JAK2ABL1
SCHEMBL1022138 0.88 HSP90AA1 (0.42) CHEK1AURKADAPK3JAK2ABL1
SCHEMBL1018764 0.88 HSP90AA1 (0.44) CHEK1AURKADAPK3JAK2ABL1
SCHEMBL1018517 0.88 GLRA1 (0.44) LMNAEGFRHTTALDH1A1
SCHEMBL31425472 0.86 P2RX3 (0.41) FYNTDP1LMNAEGFRALDH1A1
SCHEMBL1019040 0.86 P2RX3 (0.41) FYNTDP1LMNAEGFRALDH1A1
SCHEMBL14930787 0.86 CYP3A4 (0.51) LMNAEGFRBACE1HTTCYP3A4
SCHEMBL4999364 0.85 CTSD (0.39) LMNAEGFRBACE1ALDH1A1CYP3A4

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3568128-B1 HSP90B N-TERMINAL ISOFORM-SELECTIVE INHIBITORS UNIV KANSAS (US) 2022-07-06 EP disclosed
US-10927076-B2 HSP90B N-terminal isoform-selective inhibitors UNIVERSITY OF KANSAS (US) 2021-02-23 US disclosed
EP-3568128-A1 HSP90B N-TERMINAL ISOFORM-SELECTIVE INHIBITORS The University of Kansas (US) 2019-11-20 EP disclosed
US-20190337894-A1 HSP90B N-TERMINAL ISOFORM-SELECTIVE INHIBITORS UNIVERSITY OF KANSAS 2019-11-07 US disclosed
WO-2018132769-A1 HSP90B N-TERMINAL ISOFORM-SELECTIVE INHIBITORS UNIVERSITY OF KANSAS (US) 2018-07-19 WO disclosed
EP-2271618-B1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LTD (GB) 2014-05-21 EP disclosed
EP-2271618-B1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LTD (GB) 2014-05-21 EP disclosed
US-8664218-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LTD. (GB) 2014-03-04 US disclosed
US-8664218-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LTD. (GB) 2014-03-04 US disclosed
US-8664218-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LTD. (GB) 2014-03-04 US disclosed
US-20130210820-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (GB) 2013-08-15 US disclosed
US-8383619-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2013-02-26 US disclosed
US-8383619-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2013-02-26 US disclosed
US-8383619-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2013-02-26 US disclosed
US-20110098290-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2011-04-28 US disclosed
US-20110098290-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2011-04-28 US disclosed
US-20110098290-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2011-04-28 US disclosed
EP-2271618-A1 PHARMACEUTICAL COMPOUNDS Astex Therapeutics Limited (GB) 2011-01-12 EP disclosed
WO-2009125230-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2009-10-15 WO disclosed
WO-2009125230-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2009-10-15 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-20190337894-A1 HSP90B N-TERMINAL ISOFORM-SELECTIVE INHIBITORS HSP90AB1, HSP90AB2P, HSP90B1 CHEK1 2002/4885AURKA 1835/4885DAPK3 506/4885
US-10927076-B2 HSP90B N-terminal isoform-selective inhibitors HSP90AB1, HSP90AB2P, HSP90B1 CHEK1 2002/4885AURKA 1835/4885DAPK3 506/4885
US-20130210820-A1 Pharmaceutical Compounds SLC10A1, MAPT, SLC5A1 CHEK1 4568/4885AURKA 1235/4885DAPK3 3906/4885
US-20110098290-A1 PHARMACEUTICAL COMPOUNDS NR3C2, NR5A2, NR0B1 CHEK1 4857/4885AURKA 1415/4885DAPK3 3683/4885

“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.