SCHEMBL16625549

SCHEMBL16625549

CCc1cc(-c2n[nH]c(=S)n2-c2cccc3c2ccn3C2CC2)c(O)cc1O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 10/20 0.41
HSP90AB1 P08238 3/20 0.41
ALDH1A1 P00352 6/20 0.39
HPGD P15428 4/20 0.39
LMNA P02545 2/20 0.39
ATM Q13315 1/20 0.39
KDM4E B2RXH2 4/20 0.36
GAA P10253 3/20 0.36
PAX8 Q06710 1/20 0.36
MAPT P10636 3/20 0.36
GLA P06280 1/20 0.36
PLK1 P53350 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GFER P55789 1/20 0.33

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
SCHEMBL419823 0.86 HSP90AA1 (0.40) HSP90AA1HSP90AB1ALDH1A1HPGDLMNA
SCHEMBL8930907 0.85 HSP90AA1 (0.43) HSP90AA1HSP90AB1ALDH1A1HPGDLMNA
SCHEMBL420101 0.83 HSP90AA1 (0.42) HSP90AA1HSP90AB1ALDH1A1HPGDLMNA
SCHEMBL420065 0.83 HSP90AA1 (0.42) HSP90AA1HSP90AB1ALDH1A1HPGDLMNA
SCHEMBL419131 0.82 HSP90AA1 (0.41) HSP90AA1HSP90AB1ALDH1A1HPGDLMNA
SCHEMBL421158 0.81 HSP90AA1 (0.42) HSP90AA1HSP90AB1ALDH1A1HPGDLMNA
SCHEMBL14293304 0.80 HSP90AA1 (0.49) HSP90AA1HSP90AB1ALDH1A1HPGDLMNA
SCHEMBL8931075 0.80 HSP90AA1 (0.49) HSP90AA1HSP90AB1ALDH1A1HPGDLMNA
SCHEMBL419822 0.80 HSP90AA1 (0.42) HSP90AA1HSP90AB1ALDH1A1HPGDLMNA
SCHEMBL14344623 0.80 HSP90AA1 (0.48) HSP90AA1HSP90AB1ALDH1A1HPGDLMNA

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-20150099721-A1 TREATING CANCER WITH HSP90 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2015-04-09 US disclosed
US-20150099721-A1 TREATING CANCER WITH HSP90 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2015-04-09 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-20150099721-A1 TREATING CANCER WITH HSP90 INHIBITORY COMPOUNDS ROS1, RET, HSP90AB1 HSP90AA1 4/4885HSP90AB1 3/4885ALDH1A1 733/4885

“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.