SCHEMBL15525645

SCHEMBL15525645

CCNC(=O)c1nnc(-c2cc(C(C)C)c(O)cc2O)n1-c1ccc(C(=O)N2CCC(C(=O)O)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 2/20 0.47
HSP90AB1 P08238 17/20 0.43
HSP90AA1 P07900 8/20 0.41
POLB P06746 1/20 0.41
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 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
SCHEMBL15525667 0.95 ERBB2 (0.52) ERBB2HSP90AB1HSP90AA1POLB
SCHEMBL17293935 0.92 ERBB2 (0.46) ERBB2HSP90AB1HSP90AA1HDAC3HDAC4
SCHEMBL17293934 0.91 ERBB2 (0.46) ERBB2HSP90AB1HSP90AA1HDAC3HDAC4
SCHEMBL17293936 0.91 ERBB2 (0.46) ERBB2HSP90AB1HSP90AA1HDAC3HDAC4
SCHEMBL20879006 0.90 HSP90AB1 (0.49) ERBB2HSP90AB1HSP90AA1HDAC3HDAC4
SCHEMBL28130292 0.89 HSP90AB1 (0.49) ERBB2HSP90AB1HSP90AA1HDAC3HDAC4
SCHEMBL16569528 0.88 ERBB2 (0.47) ERBB2HSP90AB1HSP90AA1HDAC3HDAC4
SCHEMBL501462 0.88 HSP90AB1 (0.53) ERBB2HSP90AB1HSP90AA1
SCHEMBL18649810 0.88 ERBB2 (0.45) ERBB2HSP90AB1HSP90AA1HDAC3HDAC4
SCHEMBL15525677 0.88 ERBB2 (0.47) ERBB2HSP90AB1HSP90AA1HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9597343-B2 Targeted therapeutics SYNTA PHARMACEUTICALS CORP. (US) 2017-03-21 US disclosed
EP-3129064-A2 TARGETED THERAPEUTICS Synta Pharmaceuticals Corp. (US) 2017-02-15 EP disclosed
EP-3035938-A1 TARGETED THERAPEUTICS Synta Pharmaceuticals Corp. (US) 2016-06-29 EP disclosed
WO-2015134464-A2 TARGETED THERAPEUTICS SYNTA PHARMACEUTICALS CORP. (US) 2015-09-11 WO disclosed
US-20150139905-A1 TARGETED THERAPEUTICS MADRIGAL PHARMACEUTICALS, INC. 2015-05-21 US disclosed
WO-2015038649-A1 TARGETED THERAPEUTICS SYNTA PHARMACEUTICALS CORP. (US) 2015-03-19 WO disclosed
EP-2838909-A2 TARGETED THERAPEUTICS Synta Pharmaceuticals Corp. (US) 2015-02-25 EP disclosed
WO-2013158644-A2 TARGETED THERAPEUTICS SYNTA PHARMACEUTICALS CORP. (US) 2013-10-24 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 (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-20150139905-A1 TARGETED THERAPEUTICS CDC37, HSP90AB1, HSP90B1 ERBB2 241/4885HSP90AB1 2/4885HSP90AA1 5/4885

“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.