SCHEMBL15042880

SCHEMBL15042880

CCCn1cnc2c(-n3c(-c4cc(CC)c(O)cc4O)n[nH]c3=S)cccc21

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
HPGD P15428 3/20 0.40
LMNA P02545 2/20 0.40
ATM Q13315 1/20 0.40
HSP90AA1 P07900 11/20 0.40
HSP90AB1 P08238 3/20 0.40
KDM4E B2RXH2 4/20 0.38
GAA P10253 3/20 0.38
PAX8 Q06710 1/20 0.38
MAPT P10636 2/20 0.37
GLA P06280 1/20 0.36
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL12637703 0.94 HSP90AA1 (0.40) ALDH1A1HPGDLMNAATMHSP90AA1
SCHEMBL419118 0.93 ALDH1A1 (0.41) ALDH1A1HPGDLMNAATMHSP90AA1
SCHEMBL12185616 0.87 ALDH1A1 (0.40) ALDH1A1HPGDLMNAATMHSP90AA1
SCHEMBL420101 0.84 HSP90AA1 (0.42) ALDH1A1HPGDLMNAATMHSP90AA1
SCHEMBL12908775 0.81 GAA (0.34) HPGDLMNAHSP90AA1KDM4EGAA
SCHEMBL10344975 0.81 ALDH1A1 (0.43) ALDH1A1HPGDLMNAATMHSP90AA1
SCHEMBL16021996 0.79 KDM4E (0.49) ALDH1A1HPGDLMNAATMHSP90AA1
SCHEMBL419131 0.79 HSP90AA1 (0.41) ALDH1A1HPGDLMNAATMHSP90AA1
SCHEMBL421158 0.78 HSP90AA1 (0.42) ALDH1A1HPGDLMNAATMHSP90AA1
SCHEMBL8930907 0.78 HSP90AA1 (0.43) ALDH1A1HPGDLMNAATMHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130156755-A1 CANCER THERAPY USING A COMBINATION OF A HSP90 INHIBITORY COMPOUNDS AND A VEGF INHIBITOR SYNTA PHARMACEUTICALS CORP. (US) 2013-06-20 US disclosed
US-20130156755-A1 CANCER THERAPY USING A COMBINATION OF A HSP90 INHIBITORY COMPOUNDS AND A VEGF INHIBITOR SYNTA PHARMACEUTICALS CORP. (US) 2013-06-20 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-20130156755-A1 CANCER THERAPY USING A COMBINATION OF A HSP90 INHIBITORY COMPOUNDS AND A VEGF INHIBITOR HSP90AB1, HSP90AA1, HSP90AB2P ALDH1A1 1176/4885HPGD 956/4885LMNA 4259/4885

“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.