SCHEMBL14029938

SCHEMBL14029938

COCOc1cc(OCOC)c(C(C)C)cc1-c1nnc(SCC(=O)O)n1-c1ccc(OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.53
PKM P14618 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 2/20 0.46
USP2 O75604 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALPG P10696 2/20 0.45
CDC25A P30304 2/20 0.45
CDC25B P30305 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL14029940 0.92 CYP2C19 (0.53) L3MBTL1PKMMEN1KMT2AALDH1A1
SCHEMBL14029932 0.90 MEN1 (0.47) L3MBTL1PKMMEN1KMT2AALDH1A1
SCHEMBL5006532 0.86 TLR8 (0.43) L3MBTL1MEN1KMT2AALDH1A1HPGD
SCHEMBL14925078 0.84 L3MBTL1 (0.55) L3MBTL1PKMMEN1KMT2AALDH1A1
SCHEMBL5003252 0.84 GAA (0.40) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL5002675 0.82 GAA (0.39) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL5003223 0.81 OXTR (0.35) L3MBTL1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL14029931 0.81 OXTR (0.36) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL14029936 0.78 ALDH1A1 (0.51) L3MBTL1PKMMEN1KMT2AALDH1A1
SCHEMBL14029937 0.77 CHRNA7 (0.33) L3MBTL1MEN1KMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130116253-A1 Novel HSP90 Inhibitor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-05-09 US disclosed
US-20130116251-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

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 L3MBTL1 2011/4885PKM 4126/4885MEN1 4815/4885
US-20130116253-A1 Novel HSP90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 L3MBTL1 2011/4885PKM 4126/4885MEN1 4815/4885
US-20080269218-A1 Novel Hsp90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 L3MBTL1 1933/4885PKM 4019/4885MEN1 4757/4885
US-20130116251-A1 Novel HSP90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 L3MBTL1 2011/4885PKM 4126/4885MEN1 4815/4885
US-20130116431-A1 Novel HSP90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 L3MBTL1 2011/4885PKM 4126/4885MEN1 4815/4885

“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.