SCHEMBL464276

SCHEMBL464276

CCc1cc(-c2nnc(S)n2-c2ccc3c(c2)c(C)c(C)n3CC(=O)O)c(O)cc1O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 17/20 0.36
PTGS1 P23219 2/20 0.35
CYP2C9 P11712 1/20 0.35
SLC6A4 P31645 1/20 0.35
CYP2C19 P33261 1/20 0.35
PTGS2 P35354 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
AKR1B1 P15121 1/20 0.33

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
SCHEMBL421415 0.89 HSP90AA1 (0.36) CYP2C19MEN1KMT2AHSP90AA1HSP90AB1
SCHEMBL421131 0.86 HSP90AA1 (0.36) MEN1KMT2AHSP90AA1HSP90AB1
SCHEMBL443435 0.85 HSP90AA1 (0.35) MEN1KMT2AHSP90AA1HSP90AB1
SCHEMBL464384 0.81 HSP90AA1 (0.42) PTGDR2HSP90AA1HSP90AB1
SCHEMBL8931236 0.80 RAC2 (0.40) MEN1KMT2A
SCHEMBL419851 0.78 HSP90AA1 (0.40) HSP90AA1HSP90AB1
SCHEMBL3301790 0.77 HSP90AA1 (0.40) HSP90AA1HSP90AB1
SCHEMBL419020 0.77 HSP90AA1 (0.38) HSP90AA1HSP90AB1
SCHEMBL3301787 0.77 HSP90AA1 (0.40) HSP90AA1HSP90AB1
SCHEMBL13983495 0.76 HSP90AA1 (0.33) MEN1KMT2AHSP90AA1HSP90AB1

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 56 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-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-9108933-B2 Method for treating proliferative disorders associated with mutations in c-Met SYNTA PHARMACEUTICALS CORP. (US) 2015-08-18 US disclosed
US-9101614-B2 Method for treating non-Hodgkin's lymphoma SYNTA PHARMACEUTICALS CORP. (US) 2015-08-11 US disclosed
US-20150150851-A1 FORMULATION AND DOSING OF HSP90 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2015-06-04 US disclosed
US-20150150850-A1 TREATING CANCER WITH HSP90 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2015-06-04 US disclosed
US-20100273846-A1 METHOD FOR TREATING PROLIFERATIVE DISORDERS ASSOCIATED WITH MUTATIONS IN C-MET LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2010-10-28 US disclosed
US-20100093717-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP 2010-04-15 US disclosed
US-20080125587-A1 Synthesis of triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. 2008-05-29 US disclosed
US-20080125587-A1 Synthesis of triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. 2008-05-29 US disclosed
US-20080027047-A1 Compounds that modulate HSP90 activity and methods for identifying same SYNTA PHARMACEUTICALS CORP 2008-01-31 US disclosed
US-20080027047-A1 Compounds that modulate HSP90 activity and methods for identifying same SYNTA PHARMACEUTICALS CORP 2008-01-31 US disclosed
US-20080004276-A1 Method for treating non-hodgkin's lymphoma LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2008-01-03 US disclosed
US-20080004276-A1 Method for treating non-hodgkin's lymphoma LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2008-01-03 US disclosed
US-20080004266-A1 Method for treating proliferative disorders associated with protooncogene products LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2008-01-03 US disclosed
US-20080004266-A1 Method for treating proliferative disorders associated with protooncogene products LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2008-01-03 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 (11 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 PTGDR2 3874/4885PTGS1 1230/4885CYP2C9 4030/4885
US-20160120849-A1 CANCER THERAPY USING A COMBINATION OF A HSP90 INHIBITORY COMPOUNDS AND A EGFR INHIBITOR EGFR, HSP90AB1, HSP90AA1 PTGDR2 3528/4885PTGS1 1716/4885CYP2C9 4163/4885
US-20080125587-A1 Synthesis of triazole compounds that modulate HSP90 activity HSP90AB1, HSP90AA1, HSP90AB2P PTGDR2 2725/4885PTGS1 650/4885CYP2C9 115/4885
US-20170340652-A1 COMBINATION THERAPY OF HSP90 INHIBITORY COMPOUNDS WITH CHK INHIBITORS HSP90AB1, HSP90AA1, HSP90B1 PTGDR2 4367/4885PTGS1 3210/4885CYP2C9 4174/4885
US-20150150850-A1 TREATING CANCER WITH HSP90 INHIBITORY COMPOUNDS HSP90AB1, MET, HSP90AA1 PTGDR2 4727/4885PTGS1 2048/4885CYP2C9 3577/4885
US-20100093717-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90AA1, HSP90AB2P PTGDR2 705/4885PTGS1 54/4885CYP2C9 2343/4885
US-20080004276-A1 Method for treating non-hodgkin's lymphoma HSP90AB1, HSP90AB2P, HSP90B1 PTGDR2 3353/4885PTGS1 607/4885CYP2C9 4501/4885
US-20150150851-A1 FORMULATION AND DOSING OF HSP90 INHIBITORY COMPOUNDS HSP90AB1, HSP90AA1, HSP90AB2P PTGDR2 2634/4885PTGS1 838/4885CYP2C9 789/4885
US-20080027047-A1 Compounds that modulate HSP90 activity and methods for identifying same HSP90AB1, HSP90B1, CDC37 PTGDR2 3266/4885PTGS1 693/4885CYP2C9 3969/4885
US-20100273846-A1 METHOD FOR TREATING PROLIFERATIVE DISORDERS ASSOCIATED WITH MUTATIONS IN C-MET HSP90AB1, HSP90B1, HSP90AA1 PTGDR2 3376/4885PTGS1 2342/4885CYP2C9 4821/4885
US-20080004266-A1 Method for treating proliferative disorders associated with protooncogene products HSP90AB1, HSP90AB2P, HSP90AA1 PTGDR2 3936/4885PTGS1 2644/4885CYP2C9 4642/4885

“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.