Sugi Predict

Sugi Predict / Compounds / SCHEMBL14029893

SCHEMBL14029893

SCHEMBL14029893

COCOc1cc(OCOC)c(C(C)C)cc1-c1nnc([S+](C)[O-])n1-c1cnc(N2CCOCC2)nc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HSP90AB1 P08238 4/20 0.34
▸ HSP90AA1 P07900 3/20 0.34
▸ SUV39H2 Q9H5I1 2/20 0.33
▸ HSD17B10 Q99714 1/20 0.31
▸ PIK3CA P42336 3/20 0.31
▸ MTOR P42345 2/20 0.31
▸ GAA P10253 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ POLQ O75417 1/20 0.31
▸ PIK3CD O00329 2/20 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
SCHEMBL14048036 0.86 HSP90AB1 (0.36) HSP90AB1HSP90AA1SUV39H2HSD17B10PIK3CA
SCHEMBL14029892 0.85 HSP90AB1 (0.35) HSP90AB1HSP90AA1SUV39H2HSD17B10PIK3CA
SCHEMBL14780814 0.84 HSP90AB1 (0.35) HSP90AB1HSP90AA1SUV39H2HSD17B10PIK3CA
SCHEMBL14029885 0.83 HSP90AA1 (0.36) HSP90AB1HSP90AA1SUV39H2GAATSHR
SCHEMBL14925013 0.83 HSP90AA1 (0.36) HSP90AB1HSP90AA1HSD17B10PIK3CAMTOR
SCHEMBL14029888 0.79 HSP90AB1 (0.54) HSP90AB1HSP90AA1GAATSHRMAPK1
SCHEMBL14029886 0.79 HSP90AA1 (0.43) HSP90AB1HSP90AA1SUV39H2HSD17B10GAA
SCHEMBL5003479 0.76 HSP90AA1 (0.40) HSP90AB1HSP90AA1HSD17B10GAATSHR
SCHEMBL14048107 0.71 HSP90AA1 (0.39) HSP90AA1HSD17B10SMN1; SMN2
SCHEMBL5002654 0.70 HSP90AA1 (0.39) HSP90AA1HSD17B10SMN1; 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 6 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-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 HSP90AB1 1/4885HSP90AA1 4/4885SUV39H2 3859/4885
US-20130116253-A1 Novel HSP90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 HSP90AB1 1/4885HSP90AA1 4/4885SUV39H2 3859/4885
US-20080269218-A1 Novel Hsp90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 HSP90AB1 1/4885HSP90AA1 4/4885SUV39H2 3511/4885
US-20130116251-A1 Novel HSP90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 HSP90AB1 1/4885HSP90AA1 4/4885SUV39H2 3859/4885
US-20130116431-A1 Novel HSP90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 HSP90AB1 1/4885HSP90AA1 4/4885SUV39H2 3859/4885

“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.