SCHEMBL5032623

SCHEMBL5032623

CC(C)c1cc(-c2nnc(S(C)(=O)=O)n2-c2ccc(CN3CCOCC3)cc2)c(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTGER1 P34995 4/20 0.40
ADAMTS4 O75173 1/20 0.39
HSP90AA1 P07900 6/20 0.38
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
HSP90B1 P14625 1/20 0.37
TRAP1 Q12931 1/20 0.37
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
MCHR1 Q99705 1/20 0.37
DDB1 Q16531 2/20 0.36
CRBN Q96SW2 2/20 0.36
EP300 Q09472 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL5002986 0.89 HSP90AA1 (0.39) MAPTSMN1; SMN2ADAMTS4HSP90AA1HTT
SCHEMBL14029945 0.83 PTGER1 (0.42) SMN1; SMN2PTGER1
SCHEMBL14924970 0.83 MAPT (0.39) MAPTHSP90AA1HSP90B1TRAP1
SCHEMBL5006477 0.82 PDK1 (0.50) MAPTHSP90AA1HSP90B1TRAP1
SCHEMBL5002989 0.82 HSP90AA1 (0.41) MAPTSMN1; SMN2HSP90AA1HTTHSP90B1
SCHEMBL14381332 0.81 HSP90AA1 (0.39) KDM4ELMNAMAPTSMN1; SMN2HSP90AA1
SCHEMBL5006534 0.80 CHKA (0.35) KDM4EHSP90AA1
SCHEMBL5003209 0.79 CNR1 (0.43) KDM4EMAPTMAPK1HSP90AA1
SCHEMBL14048107 0.76 HSP90AA1 (0.39) MAPTSMN1; SMN2HSP90AA1HTTHSP90B1
SCHEMBL4069185 0.75 HSP90AA1 (0.42) KDM4ELMNAMAPTMAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130116251-A1 Novel HSP90 Inhibitor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-05-09 US disclosed
US-20130116253-A1 Novel HSP90 Inhibitor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-05-09 US disclosed
US-20130116252-A1 Novel HSP90 Inhibitor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-05-09 US disclosed
US-20130116431-A1 Novel HSP90 Inhibitor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-05-09 US disclosed
US-8399464-B2 using a triazole compound; anticancer agent NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-03-19 US disclosed
US-8399464-B2 using a triazole compound; anticancer agent NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-03-19 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 (5 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-20130116252-A1 Novel HSP90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 KDM4E 3055/4885LMNA 4630/4885MAPT 2935/4885
US-20130116253-A1 Novel HSP90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 KDM4E 3055/4885LMNA 4630/4885MAPT 2935/4885
US-20080269218-A1 Novel Hsp90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 KDM4E 2991/4885LMNA 4452/4885MAPT 3074/4885
US-20130116251-A1 Novel HSP90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 KDM4E 3055/4885LMNA 4630/4885MAPT 2935/4885
US-20130116431-A1 Novel HSP90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 KDM4E 3055/4885LMNA 4630/4885MAPT 2935/4885

“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.