SCHEMBL16569718

SCHEMBL16569718

[CH2]CC(=O)N1CCN(Cc2ccc(-n3c(O)nnc3-c3cc(C(C)C)c(O)cc3O)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 13/20 0.43
HSP90AB1 P08238 6/20 0.43
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ATM Q13315 1/20 0.41
HSP90B1 P14625 4/20 0.41
TRAP1 Q12931 3/20 0.41
PDK1 Q15118 2/20 0.41
BRD4 O60885 2/20 0.40
POLB P06746 2/20 0.39

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
SCHEMBL30368807 0.92 HSP90AA1 (0.43) HSP90AA1HSP90AB1ALDH1A1HTTSMN1; SMN2
SCHEMBL21097474 0.91 HSP90AA1 (0.43) HSP90AA1HSP90AB1ALDH1A1HTTSMN1; SMN2
SCHEMBL22541228 0.91 HRH3 (0.46) HSP90AA1HSP90AB1ATMHSP90B1TRAP1
SCHEMBL30985941 0.91 HRH3 (0.46) HSP90AA1HSP90AB1ATMHSP90B1TRAP1
SCHEMBL15525654 0.90 HSP90AA1 (0.45) HSP90AA1HSP90AB1HSP90B1TRAP1PDK1
SCHEMBL15525674 0.89 HSP90AA1 (0.42) HSP90AA1HSP90AB1ALDH1A1HTTSMN1; SMN2
SCHEMBL28341024 0.89 HSP90AA1 (0.47) HSP90AA1HSP90AB1HSP90B1TRAP1PDK1
SCHEMBL17065471 0.87 HSP90AA1 (0.45) HSP90AA1HSP90AB1HSP90B1TRAP1PDK1
SCHEMBL16687051 0.86 HSP90AA1 (0.45) HSP90AA1HSP90AB1HSP90B1TRAP1PDK1
SCHEMBL22354461 0.86 HSP90AA1 (0.48) HSP90AA1HSP90AB1HSP90B1TRAP1PDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210085700-A1 TARGETED THERAPEUTICS MADRIGAL PHARMACEUTICALS, INC. 2021-03-25 US disclosed
EP-3738594-A1 TARGETED THERAPEUTICS HAVING AN HSP90 LIGAND AS BINDING MOIETY Madrigal Pharmaceuticals, Inc. (US) 2020-11-18 EP disclosed
US-10828315-B2 Targeted therapeutics MADRIGAL PHARMACEUTICALS, INC. (US) 2020-11-10 US disclosed
EP-3035938-B1 TARGETED THERAPEUTICS MADRIGAL PHARMACEUTICALS INC (US) 2020-08-19 EP disclosed
US-20170056510-A1 TARGETED THERAPEUTICS SYNTA PHARMACEUTICALS CORP. (US) 2017-03-02 US disclosed
EP-3035938-A1 TARGETED THERAPEUTICS Synta Pharmaceuticals Corp. (US) 2016-06-29 EP disclosed
WO-2015038649-A1 TARGETED THERAPEUTICS SYNTA PHARMACEUTICALS CORP. (US) 2015-03-19 WO 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 (3 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-20210085700-A1 TARGETED THERAPEUTICS CDC37, HSP90AB1, HSP90B1 HSP90AA1 5/4885HSP90AB1 2/4885ALDH1A1 3249/4885
US-10828315-B2 Targeted therapeutics CDC37, HSP90AB1, HSP90B1 HSP90AA1 5/4885HSP90AB1 2/4885ALDH1A1 3249/4885
US-20170056510-A1 TARGETED THERAPEUTICS CDC37, HSP90AB1, HSP90B1 HSP90AA1 5/4885HSP90AB1 2/4885ALDH1A1 3249/4885

“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.