SCHEMBL2861690

SCHEMBL2861690

CCc1c(O)cc(O)c(C(=O)c2ccc(OC(F)F)cc2)c1CC(=O)N(CCO)CCOC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.35
POLB P06746 2/20 0.35
MLYCD O95822 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HTT P42858 1/20 0.33
PKM P14618 1/20 0.33
ALOX15 P16050 1/20 0.33
GFER P55789 1/20 0.33
ADAM17 P78536 1/20 0.33
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
ATM Q13315 1/20 0.32
EPHX2 P34913 1/20 0.32
MAPT P10636 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HDAC3 O15379 1/20 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
SCHEMBL2854641 0.94 LMNA (0.36) LMNAPOLBMEN1KMT2AHTT
SCHEMBL2861718 0.92 TSPO (0.35) LMNAPOLBMLYCDKMT2AHTT
SCHEMBL2858220 0.90 TLR9 (0.36) MLYCDHTTTLR9TLR8TLR7
SCHEMBL2862377 0.89 ALDH1A1 (0.41) LMNAPOLBMLYCDKMT2AALOX15
SCHEMBL2869149 0.88 MLYCD (0.37) LMNAPOLBMLYCDMEN1KMT2A
SCHEMBL2864982 0.88 MLYCD (0.36) LMNAPOLBMLYCDMEN1KMT2A
SCHEMBL2859151 0.87 MLYCD (0.39) MLYCDTLR9TLR8TLR7NPC1
SCHEMBL2856108 0.86 ALDH1A1 (0.35) LMNAPOLBMLYCDHTTTLR9
SCHEMBL2860086 0.86 PARP10 (0.39) LMNAPOLBKMT2AALOX15MAPT
SCHEMBL2854729 0.85 MLYCD (0.40) LMNAMLYCDKMT2AHTTTLR9

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 LMNA 4283/4885POLB 4195/4885MLYCD 3647/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P LMNA 4283/4885POLB 4195/4885MLYCD 3647/4885

“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.