SCHEMBL2862980

SCHEMBL2862980

CCc1c(O)cc(O)c(C(=O)c2ccoc2)c1CC(=O)OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.35
GAA P10253 5/20 0.35
GFER P55789 1/20 0.35
PTK2 Q05397 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90B1 P14625 1/20 0.34
KDM4E B2RXH2 6/20 0.34
HSD17B10 Q99714 2/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
HSP90AB1 P08238 1/20 0.33
TRPA1 O75762 1/20 0.33
CYP3A4 P08684 1/20 0.32
HPGD P15428 4/20 0.32
GLA P06280 3/20 0.32
HIF1A Q16665 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 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
SCHEMBL2869188 0.86 TRPA1 (0.35) ALDH1A1GAAPTK2HSP90AA1HSP90B1
SCHEMBL2861394 0.82 SLC22A12 (0.40) ALDH1A1GAAGFERHSP90AB1CYP3A4
SCHEMBL2863503 0.82 L3MBTL1 (0.40) ALDH1A1GAAGFERHSP90B1KDM4E
SCHEMBL2869146 0.81 F2 (0.34) PTK2L3MBTL1
SCHEMBL2865471 0.80 CYP3A4 (0.45) ALDH1A1GAAHSP90AA1NPSR1RXFP1
SCHEMBL2861760 0.80 GAA (0.44) ALDH1A1GAAGFERHSP90AA1HSP90B1
SCHEMBL2862696 0.79 DRD2 (0.31) PTK2TRPA1
SCHEMBL2861252 0.79 SMN1; SMN2 (0.38) ALDH1A1GAAGFERKDM4EHSD17B10
SCHEMBL2856141 0.78 VNN1 (0.38) ALDH1A1GAAGFERL3MBTL1CNR2
SCHEMBL2859064 0.78 ALDH1A1 (0.35) ALDH1A1GAAGFERHSP90AA1HSP90B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1642880-B1 HSP90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KIRIN CO LTD (JP) 2013-09-04 EP disclosed
US-7767693-B2 Hsp90 family protein inhibitors KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-08-03 US disclosed
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-10-01 US disclosed
US-7538224-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US disclosed
US-20070032532-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-02-08 US disclosed
EP-1642880-A1 HSP90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-04-05 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 (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-20070032532-A1 Hsp90 family protein inhibitors HSP90AB1, HSP90B1, HSP90AB2P ALDH1A1 2940/4885GAA 1593/4885GFER 495/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P ALDH1A1 2940/4885GAA 1593/4885GFER 495/4885

“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.