SCHEMBL1019040

SCHEMBL1019040

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.41
P2RX2 Q9UBL9 1/20 0.41
EGFR P00533 1/20 0.41
TSHR P16473 3/20 0.41
HSD17B10 Q99714 2/20 0.41
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.39
KDM4E B2RXH2 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CLCN2 P51788 1/20 0.38
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 1/20 0.35
XDH P47989 1/20 0.35
FABP3 P05413 1/20 0.35
FABP4 P15090 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
SCHEMBL31425472 1.00 P2RX3 (0.41) P2RX3P2RX2EGFRTSHRHSD17B10
SCHEMBL1019195 0.88 HSP90AA1 (0.40) P2RX3P2RX2EGFRTSHRHSD17B10
SCHEMBL1019840 0.88 EGFR (0.39) P2RX3P2RX2EGFRTSHRHSD17B10
SCHEMBL14930787 0.88 CYP3A4 (0.51) EGFRTSHRLMNACYP3A4CYP1A2
SCHEMBL1018574 0.86 CHEK1 (0.41) EGFRTSHRMAPTLMNAKDM4E
SCHEMBL14381333 0.86 P2RX3 (0.43) P2RX3P2RX2EGFRTSHRLMNA
SCHEMBL14380932 0.84 LMNA (0.34) EGFRTSHRHSD17B10MAPTHPGD
SCHEMBL4999364 0.84 CTSD (0.39) EGFRTSHRMAPTPOLBLMNA
SCHEMBL4567029 0.81 PTPN11 (0.50) TSHRHSD17B10ALDH1A1RXRA
SCHEMBL12726581 0.79 TDP1 (0.38) TSHRHSD17B10MAPTHPGDLMNA

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 39 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-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
US-20080269218-A1 Novel Hsp90 Inhibitor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2008-10-30 US disclosed
US-20080269218-A1 Novel Hsp90 Inhibitor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2008-10-30 US disclosed
US-20080269218-A1 Novel Hsp90 Inhibitor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2008-10-30 US disclosed
EP-1857446-A1 NOVEL HSP90 INHIBITOR Nippon Kayaku Kabushiki Kaisha (JP) 2007-11-21 EP 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 P2RX3 4614/4885P2RX2 4622/4885EGFR 946/4885
US-10927076-B2 HSP90B N-terminal isoform-selective inhibitors HSP90AB1, HSP90AB2P, HSP90B1 P2RX3 4614/4885P2RX2 4622/4885EGFR 946/4885
US-20110098290-A1 PHARMACEUTICAL COMPOUNDS NR3C2, NR5A2, NR0B1 P2RX3 1943/4885P2RX2 2479/4885EGFR 933/4885
US-20080269218-A1 Novel Hsp90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 P2RX3 4133/4885P2RX2 4287/4885EGFR 3603/4885

“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.