SCHEMBL2855832

SCHEMBL2855832

C=CCOc1cc(OCC=C)c(C(=O)c2ccc(S(C)(=O)=O)cc2)c(CC(=O)N(CCOC)CCOC)c1CC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
CYP2C9 P11712 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
PKM P14618 1/20 0.32
CYP2C19 P33261 1/20 0.32
ABL1 P00519 1/20 0.32
RIN1 Q13671 1/20 0.32
MLYCD O95822 1/20 0.31
LMNA P02545 2/20 0.31
HRH4 Q9H3N8 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31

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
SCHEMBL2854827 0.97 KDM4E (0.33) KDM4ETLR9TLR8TLR7PDE4A
SCHEMBL2867177 0.91 KDM4E (0.34) KDM4EPDE4APDE4BPDE4CPDE4D
SCHEMBL2861223 0.88 MAPT (0.43) KDM4ETLR9TLR8TLR7LMNA
SCHEMBL5495751 0.86 KDM4E (0.35) KDM4ETLR9TLR8TLR7MLYCD
SCHEMBL2860397 0.85 KDM4E (0.42) KDM4ETLR9TLR8TLR7PDE4B
SCHEMBL2866295 0.84 KDM4E (0.36) KDM4ETLR9TLR8TLR7PKM
SCHEMBL2854652 0.84 MCHR1 (0.36) KDM4ETLR9TLR8TLR7CYP1A2
SCHEMBL2863062 0.84 KDM4E (0.34) KDM4ETLR9TLR8TLR7MLYCD
SCHEMBL2865069 0.83 KDM4E (0.35) KDM4ETLR9TLR8TLR7PKM
SCHEMBL2859707 0.82 ALDH1A1 (0.35) KDM4ETLR9TLR8TLR7NPC1

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 KDM4E 2968/4885TLR9 3438/4885TLR8 1383/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P KDM4E 2968/4885TLR9 3438/4885TLR8 1383/4885

“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.