SCHEMBL2863057

SCHEMBL2863057

CCc1c(O)cc(O)c(C(=O)c2ccc(F)c(F)c2)c1CC(=O)N(CCO)CCOC

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.36
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
CHRNA7 P36544 2/20 0.31
ALDH1A1 P00352 2/20 0.31
VNN1 O95497 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL2869161 0.93 CES2 (0.34) CHRNA7ALDH1A1VNN1KDM4EHPGD
SCHEMBL2859824 0.93 TLR9 (0.40) MLYCDTLR9TLR8TLR7ALDH1A1
SCHEMBL2869149 0.91 MLYCD (0.37) MLYCDTLR9TLR8TLR7ALDH1A1
SCHEMBL2864982 0.89 MLYCD (0.36) MLYCDTLR9TLR8TLR7ALDH1A1
SCHEMBL2859320 0.88 MLYCD (0.34) MLYCDTLR9TLR8TLR7ALDH1A1
SCHEMBL2860060 0.87 TLR8 (0.45) TLR9TLR8TLR7ALDH1A1KDM4E
SCHEMBL2869169 0.87 SLC22A6 (0.43) TLR9TLR8TLR7KDM4E
SCHEMBL2856143 0.87 TLR9 (0.41) MLYCDTLR9TLR8TLR7ALDH1A1
SCHEMBL2858220 0.87 TLR9 (0.36) MLYCDTLR9TLR8TLR7HPGD
SCHEMBL2864624 0.87 HTT (0.41) TLR9TLR8TLR7ALDH1A1KDM4E

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 7 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 claimed
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 MLYCD 3647/4885TLR9 3438/4885TLR8 1383/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P MLYCD 3647/4885TLR9 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.