SCHEMBL15525675

SCHEMBL15525675

CC(C)c1cc(-c2nnc(O)n2-c2ccc(N3CCN(CC(=O)O)CC3)cc2)c(O)cc1O

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 19/20 0.47
HSP90AB1 P08238 16/20 0.47
S1PR1 P21453 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
SCHEMBL16687051 0.91 HSP90AA1 (0.45) HSP90AA1HSP90AB1
SCHEMBL22354463 0.87 HSP90AA1 (0.50) HSP90AA1HSP90AB1
SCHEMBL15525676 0.87 HSP90AA1 (0.43) HSP90AA1HSP90AB1
SCHEMBL15525673 0.86 HSP90AB1 (0.49) HSP90AA1HSP90AB1
SCHEMBL15526024 0.86 MAPK1 (0.44) HSP90AA1HSP90AB1
SCHEMBL22541132 0.85 HSP90AA1 (0.50) HSP90AA1HSP90AB1
SCHEMBL4783606 0.85 HSP90AB1 (0.54) HSP90AA1HSP90AB1
SCHEMBL15525931 0.84 HSP90AA1 (0.41) HSP90AA1HSP90AB1S1PR1
SCHEMBL4743235 0.84 HSP90AB1 (0.53) HSP90AA1HSP90AB1
SCHEMBL28000340 0.84 HSP90AA1 (0.42) HSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3466416-A2 A BINDING MOIETY-DRUG CONJUGATE COMPRISING A HSP90 BINDING MOIETY AND A CYTOTOXIC EFFECTOR MOIETY Madrigal Pharmaceuticals, Inc. (US) 2019-04-10 EP disclosed
US-9597343-B2 Targeted therapeutics SYNTA PHARMACEUTICALS CORP. (US) 2017-03-21 US disclosed
EP-3131586-A1 TARGETED THERAPEUTICS Synta Pharmaceuticals Corp. (US) 2017-02-22 EP 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-2015143004-A1 TARGETED THERAPEUTICS SYNTA PHARMACEUTICALS CORP. (US) 2015-09-24 WO 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 HSP90AA1 5/4885HSP90AB1 2/4885S1PR1 2091/4885

“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.