SCHEMBL419168

SCHEMBL419168

CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3c(ccn3C)c2)c(O)cc1OP=O

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 20/20 0.81
HSP90AA1 P07900 18/20 0.81
HSP90B1 P14625 1/20 0.78
TRAP1 Q12931 1/20 0.78

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
SCHEMBL500866 0.91 HSP90AB1 (0.81) HSP90AB1HSP90AA1HSP90B1TRAP1
SCHEMBL9924656 0.91 HSP90AB1 (0.81) HSP90AB1HSP90AA1HSP90B1TRAP1
SCHEMBL4566979 0.90 HSP90AB1 (0.79) HSP90AB1HSP90AA1HSP90B1TRAP1
SCHEMBL419884 0.90 HSP90AB1 (1.00) HSP90AB1HSP90AA1HSP90B1TRAP1
SCHEMBL29357308 0.90 HSP90AB1 (1.00) HSP90AB1HSP90AA1HSP90B1TRAP1
SCHEMBL25602993 0.89 HSP90AB1 (0.77) HSP90AB1HSP90AA1HSP90B1TRAP1
Ganetespib SCHEMBL419750 0.88 HSP90AB1 (1.00) HSP90AB1HSP90AA1HSP90B1TRAP1
Ganetespib SCHEMBL29352120 0.88 HSP90AB1 (1.00) HSP90AB1HSP90AA1HSP90B1TRAP1
Ganetespib SCHEMBL29376128 0.88 HSP90AB1 (1.00) HSP90AB1HSP90AA1HSP90B1TRAP1
SCHEMBL15042948 0.88 HSP90AB1 (0.76) HSP90AB1HSP90AA1HSP90B1TRAP1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180221345-A1 COMBINATION THERAPY OF HSP90 INHIBITORS WITH PLATINUM-CONTAINING AGENTS LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2018-08-09 US disclosed
US-20170340652-A1 COMBINATION THERAPY OF HSP90 INHIBITORY COMPOUNDS WITH CHK INHIBITORS SYNTA PHARMACEUTICALS CORP. 2017-11-30 US disclosed
US-9439899-B2 Cancer therapy using a combination of HSP90 inhibitors with topoisomerase I inhibitors SYNTA PHARMACEUTICALS CORP. (US) 2016-09-13 US disclosed
US-9402831-B2 Combination therapy of HSP90 inhibitors with BRAF inhibitors SYNTA PHARMACEUTICAL CORP. (US) 2016-08-02 US disclosed
US-20160120849-A1 CANCER THERAPY USING A COMBINATION OF A HSP90 INHIBITORY COMPOUNDS AND A EGFR INHIBITOR SYNTA PHARMACEUTICALS CORP (US) 2016-05-05 US disclosed
US-20150366885-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2015-12-24 US disclosed
US-9205086-B2 Cancer therapy using a combination of a Hsp90 inhibitory compounds and a EGFR inhibitor SYNTA PHARMACEUTICALS CORP. (US) 2015-12-08 US disclosed
US-9120745-B2 Triazole compounds that modualte HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-09-01 US disclosed
US-20150150850-A1 TREATING CANCER WITH HSP90 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2015-06-04 US disclosed
US-20150099721-A1 TREATING CANCER WITH HSP90 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2015-04-09 US disclosed
US-20140228418-A1 COMBINATION THERAPY OF HSP90 INHIBITORY COMPOUNDS WITH MEK INHIBITORS SYNTA PHARMACEUTICALS CORP. (US) 2014-08-14 US disclosed
US-20140194388-A1 COMBINATION THERAPY OF HSP90 INHIBITORY COMPOUNDS WITH CHK INHIBITORS SYNTA PHARMACEUTICALS CORP. (US) 2014-07-10 US disclosed
US-8742133-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2014-06-03 US disclosed
US-20140051664-A1 COMBINATION THERAPY OF HSP90 INHIBITORY COMPOUNDS WITH RADIOTHERAPY SYNTA PHARMACEUTICALS CORP. (US) 2014-02-20 US disclosed
US-20140051665-A1 PROSTATE CANCER THERAPY WITH HSP90 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2014-02-20 US disclosed
US-20140045908-A1 HSP90 INHIBITORY COMPOUNDS IN TREATING JAK/STAT SIGNALING-MEDIATED CANCERS SYNTA PHARMACEUTICALS CORP. (US) 2014-02-13 US disclosed
US-20130150385-A1 CANCER THERAPY USING A COMBINATION OF A HSP90 INHIBITORY COMPOUNDS AND A EGFR INHIBITOR SYNTA PHARMACEUTICALS CORP. (US) 2013-06-13 US disclosed
US-20120245186-A1 COMBINATION CANCER THERAPY WITH HSP90 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2012-09-27 US disclosed
US-20120064175-A1 HSP90 Inhibitors for Treating Non-Small Cell Lung Cancer in Wild-Type EGFR and/or KRAS Patients SYNTA PHARMACEUTICALS CORP. 2012-03-15 US disclosed
US-20110195094-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2011-08-11 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 (15 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-20180221345-A1 COMBINATION THERAPY OF HSP90 INHIBITORS WITH PLATINUM-CONTAINING AGENTS HSP90AB1, HSP90AA1, HSP90B1 HSP90AB1 1/4885HSP90AA1 2/4885HSP90B1 3/4885
US-20160120849-A1 CANCER THERAPY USING A COMBINATION OF A HSP90 INHIBITORY COMPOUNDS AND A EGFR INHIBITOR EGFR, HSP90AB1, HSP90AA1 HSP90AB1 2/4885HSP90AA1 3/4885HSP90B1 4/4885
US-20140045908-A1 HSP90 INHIBITORY COMPOUNDS IN TREATING JAK/STAT SIGNALING-MEDIATED CANCERS JAK2, STAT3, HSP90AB1 HSP90AB1 3/4885HSP90AA1 4/4885HSP90B1 8/4885
US-20120245186-A1 COMBINATION CANCER THERAPY WITH HSP90 INHIBITORY COMPOUNDS HSP90AB1, HSP90B1, HSP90AA1 HSP90AB1 1/4885HSP90AA1 3/4885HSP90B1 2/4885
US-20150099721-A1 TREATING CANCER WITH HSP90 INHIBITORY COMPOUNDS ROS1, RET, HSP90AB1 HSP90AB1 3/4885HSP90AA1 4/4885HSP90B1 7/4885
US-20110195094-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 HSP90AB1 1/4885HSP90AA1 3/4885HSP90B1 2/4885
US-20170340652-A1 COMBINATION THERAPY OF HSP90 INHIBITORY COMPOUNDS WITH CHK INHIBITORS HSP90AB1, HSP90AA1, HSP90B1 HSP90AB1 1/4885HSP90AA1 2/4885HSP90B1 3/4885
US-20140051664-A1 COMBINATION THERAPY OF HSP90 INHIBITORY COMPOUNDS WITH RADIOTHERAPY HSP90AB1, HSP90AA1, HSP90B1 HSP90AB1 1/4885HSP90AA1 2/4885HSP90B1 3/4885
US-20140194388-A1 COMBINATION THERAPY OF HSP90 INHIBITORY COMPOUNDS WITH CHK INHIBITORS HSP90AB1, HSP90AA1, HSP90B1 HSP90AB1 1/4885HSP90AA1 2/4885HSP90B1 3/4885
US-20130150385-A1 CANCER THERAPY USING A COMBINATION OF A HSP90 INHIBITORY COMPOUNDS AND A EGFR INHIBITOR EGFR, HSP90AB1, HSP90B1 HSP90AB1 2/4885HSP90AA1 4/4885HSP90B1 3/4885
US-20150150850-A1 TREATING CANCER WITH HSP90 INHIBITORY COMPOUNDS HSP90AB1, MET, HSP90AA1 HSP90AB1 1/4885HSP90AA1 3/4885HSP90B1 5/4885
US-20140051665-A1 PROSTATE CANCER THERAPY WITH HSP90 INHIBITORY COMPOUNDS HSP90AB1, HSP90AA1, HSP90B1 HSP90AB1 1/4885HSP90AA1 2/4885HSP90B1 3/4885
US-20150366885-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 HSP90AB1 1/4885HSP90AA1 3/4885HSP90B1 2/4885
US-20140228418-A1 COMBINATION THERAPY OF HSP90 INHIBITORY COMPOUNDS WITH MEK INHIBITORS HSP90AB1, HSP90AA1, HSP90B1 HSP90AB1 1/4885HSP90AA1 2/4885HSP90B1 3/4885
US-20120064175-A1 HSP90 Inhibitors for Treating Non-Small Cell Lung Cancer in Wild-Type EGFR and/or KRAS Patients HSP90AB1, HSP90AA1, HSP90B1 HSP90AB1 1/4885HSP90AA1 2/4885HSP90B1 3/4885

“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.