SCHEMBL15868433

SCHEMBL15868433

CCc1cc(-c2n[nH]c(=S)n2-c2ccc3c(c2)c(C)c(C)n3CC)c(O)cc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.45
HSP90AB1 P08238 4/20 0.45
ALDH1A1 P00352 5/20 0.43
HPGD P15428 4/20 0.43
KDM4E B2RXH2 4/20 0.43
MAPT P10636 3/20 0.43
GLA P06280 1/20 0.43
GFER P55789 3/20 0.42
TDP1 Q9NUW8 3/20 0.38
LMNA P02545 1/20 0.38
STAT3 P40763 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSP90B1 P14625 1/20 0.37
TRAP1 Q12931 1/20 0.37
RPA1 P27694 1/20 0.35
POLB P06746 1/20 0.35
PLK1 P53350 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
APOBEC3G Q9HC16 2/20 0.35

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
SCHEMBL421156 0.92 HSP90AA1 (0.46) HSP90AA1HSP90AB1ALDH1A1HPGDKDM4E
SCHEMBL464384 0.91 HSP90AA1 (0.42) HSP90AA1HSP90AB1ALDH1A1HPGDKDM4E
SCHEMBL421132 0.90 HSP90AA1 (0.48) HSP90AA1HSP90AB1ALDH1A1HPGDKDM4E
SCHEMBL8931242 0.87 ALDH1A1 (0.47) HSP90AA1HSP90AB1ALDH1A1HPGDKDM4E
SCHEMBL10344907 0.84 HSP90AA1 (0.45) HSP90AA1HSP90AB1ALDH1A1HPGDKDM4E
SCHEMBL421085 0.84 HSP90AA1 (0.52) HSP90AA1HSP90AB1ALDH1A1HPGDKDM4E
SCHEMBL421407 0.83 HSP90AA1 (0.48) HSP90AA1HSP90AB1ALDH1A1HPGDKDM4E
SCHEMBL421095 0.83 HSP90AA1 (0.52) HSP90AA1HSP90AB1ALDH1A1HPGDKDM4E
SCHEMBL421403 0.80 KDM4E (0.45) HSP90AA1HSP90AB1ALDH1A1HPGDKDM4E
SCHEMBL419816 0.80 MEN1 (0.53) HSP90AA1HSP90AB1ALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140194388-A1 COMBINATION THERAPY OF HSP90 INHIBITORY COMPOUNDS WITH CHK INHIBITORS SYNTA PHARMACEUTICALS CORP. (US) 2014-07-10 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 (1 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-20140194388-A1 COMBINATION THERAPY OF HSP90 INHIBITORY COMPOUNDS WITH CHK INHIBITORS HSP90AB1, HSP90AA1, HSP90B1 HSP90AA1 2/4885HSP90AB1 1/4885ALDH1A1 4166/4885

“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.