SCHEMBL16604233

SCHEMBL16604233

CC(C)c1cc(-c2n[nH]c(=S)n2-c2ccc3c(c2)NC(=O)CO3)c(O)cc1O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 16/20 0.55
HSP90AA1 P07900 15/20 0.55
HSP90B1 P14625 1/20 0.47
TRAP1 Q12931 1/20 0.47
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
STAT3 P40763 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PKM P14618 1/20 0.41
MMP12 P39900 1/20 0.41

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
SCHEMBL8931366 0.86 ALDH1A1 (0.47) HSP90AB1HSP90AA1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL14305420 0.83 HSP90AA1 (0.55) HSP90AB1HSP90AA1HSP90B1TRAP1ALDH1A1
SCHEMBL4566903 0.83 HSP90AB1 (0.59) HSP90AB1HSP90AA1HSP90B1TRAP1ALDH1A1
SCHEMBL16772876 0.83 ALDH1A1 (0.43) HSP90AB1HSP90AA1HSP90B1TRAP1ALDH1A1
SCHEMBL8931341 0.82 KDM4E (0.60) HSP90AB1HSP90AA1HSP90B1TRAP1ALDH1A1
SCHEMBL14293449 0.78 KDM4E (0.43) ALDH1A1SMN1; SMN2KDM4EHPGDLMNA
SCHEMBL4566884 0.77 HSP90AB1 (0.61) HSP90AB1HSP90AA1HSP90B1TRAP1ALDH1A1
SCHEMBL14029952 0.75 HSP90AA1 (0.62) HSP90AB1HSP90AA1HSP90B1TRAP1ALDH1A1
SCHEMBL14029777 0.75 HSP90AA1 (0.63) HSP90AB1HSP90AA1HSP90B1TRAP1ALDH1A1
SCHEMBL8931367 0.75 HSP90AB1 (0.60) HSP90AB1HSP90AA1HSP90B1TRAP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150150851-A1 FORMULATION AND DOSING OF HSP90 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2015-06-04 US disclosed
US-20150150851-A1 FORMULATION AND DOSING OF HSP90 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2015-06-04 US disclosed
US-20150094349-A1 Method for Treating Proliferative Disorders Associated with Protooncogene Products SYNTA PHARMACEUTICALS CORP (US) 2015-04-02 US disclosed
US-20150094349-A1 Method for Treating Proliferative Disorders Associated with Protooncogene Products SYNTA PHARMACEUTICALS CORP (US) 2015-04-02 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 (2 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-20150094349-A1 Method for Treating Proliferative Disorders Associated with Protooncogene Products HSP90AB1, HSP90AB2P, HSP90AA1 HSP90AB1 1/4885HSP90AA1 3/4885HSP90B1 7/4885
US-20150150851-A1 FORMULATION AND DOSING OF HSP90 INHIBITORY COMPOUNDS HSP90AB1, HSP90AA1, HSP90AB2P HSP90AB1 1/4885HSP90AA1 2/4885HSP90B1 4/4885

“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.