SCHEMBL12046493

SCHEMBL12046493

CCc1cc(-c2[nH]nc(S)c2-c2ccc3c(c2)c(C)c(C)n3C)c(O)cc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 7/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ LMNA P02545 3/20 0.43
▸ PAX8 Q06710 1/20 0.43
▸ HSP90AA1 P07900 7/20 0.41
▸ MAPT P10636 7/20 0.41
▸ HSP90AB1 P08238 4/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ MET P08581 1/20 0.41
▸ PIM1 P11309 1/20 0.41
▸ LTK P29376 1/20 0.41
▸ ALOX12 P18054 3/20 0.37
▸ ALOX15 P16050 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ NPY1R P25929 1/20 0.37

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
SCHEMBL1149462 0.89 HSP90AA1 (0.39) GAAKDM4ELMNAPAX8HSP90AA1
SCHEMBL1343589 0.88 GAA (0.41) GAAKDM4ELMNAPAX8HSP90AA1
SCHEMBL1148730 0.87 HSP90AA1 (0.44) GAAKDM4ELMNAPAX8HSP90AA1
SCHEMBL12553626 0.82 ALOX5 (0.43) GAAKDM4ELMNAPAX8HSP90AA1
SCHEMBL1340870 0.81 GAA (0.45) GAAKDM4ELMNAPAX8HSP90AA1
SCHEMBL12046499 0.81 MAPT (0.44) GAAKDM4ELMNAPAX8HSP90AA1
SCHEMBL1148572 0.77 GAA (0.43) GAAKDM4ELMNAPAX8HSP90AA1
SCHEMBL1148614 0.73 HSP90AA1 (0.35) HSP90AA1MAPTMAPK1ALDH1A1
SCHEMBL1343850 0.73 HSP90AA1 (0.41) GAAKDM4ELMNAPAX8HSP90AA1
SCHEMBL12046415 0.73 HSP90AA1 (0.41) GAAKDM4ELMNAPAX8HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9108933-B2 Method for treating proliferative disorders associated with mutations in c-Met SYNTA PHARMACEUTICALS CORP. (US) 2015-08-18 — — 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-9101614-B2 Method for treating non-Hodgkin's lymphoma SYNTA PHARMACEUTICALS CORP. (US) 2015-08-11 — — US disclosed
US-20150094349-A1 Method for Treating Proliferative Disorders Associated with Protooncogene Products SYNTA PHARMACEUTICALS CORP (US) 2015-04-02 — — US disclosed
US-20150094349-A1 Method for Treating Proliferative Disorders Associated with Protooncogene Products SYNTA PHARMACEUTICALS CORP (US) 2015-04-02 — — US disclosed
US-8969396-B2 Method for treating a B-raf associated cancer with an Hsp90 inhibitor SYNTA PHARMACEUTICALS CORP. (US) 2015-03-03 — — US disclosed
US-8969396-B2 Method for treating a B-raf associated cancer with an Hsp90 inhibitor SYNTA PHARMACEUTICALS CORP. (US) 2015-03-03 — — US disclosed
US-8921407-B2 Pyrazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2014-12-30 — — US disclosed
US-8921407-B2 Pyrazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2014-12-30 — — US disclosed
US-20100069442-A1 PYRAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2010-03-18 — — US disclosed
US-7608635-B2 heat shock protein 90 inhibitors; antiproliferative agents; angiogenesis inhibitors SYNTA PHARMACEUTICALS CORP. (US) 2009-10-27 — — US disclosed
US-7608635-B2 heat shock protein 90 inhibitors; antiproliferative agents; angiogenesis inhibitors SYNTA PHARMACEUTICALS CORP. (US) 2009-10-27 — — 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
US-20070191445-A1 heat shock protein 90 inhibitors; antiproliferative agents; angiogenesis inhibitors LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2007-08-16 — — US disclosed
US-20070191445-A1 heat shock protein 90 inhibitors; antiproliferative agents; angiogenesis inhibitors LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2007-08-16 — — US disclosed
WO-2007021966-A1 PYRAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2007-02-22 — — 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 (5 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-20070191445-A1 heat shock protein 90 inhibitors; antiproliferative agents; angiogenesis inhibitors HSP90AB1, HSP90AA1, HSP90AB2P GAA 2152/4885KDM4E 3475/4885LMNA 4096/4885
US-20100069442-A1 PYRAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90AA1, HSP90B1 GAA 1538/4885KDM4E 3581/4885LMNA 3804/4885
US-20150094349-A1 Method for Treating Proliferative Disorders Associated with Protooncogene Products HSP90AB1, HSP90AB2P, HSP90AA1 GAA 320/4885KDM4E 2879/4885LMNA 3947/4885
US-20080004276-A1 Method for treating non-hodgkin's lymphoma HSP90AB1, HSP90AB2P, HSP90B1 GAA 107/4885KDM4E 2790/4885LMNA 2368/4885
US-20080004266-A1 Method for treating proliferative disorders associated with protooncogene products HSP90AB1, HSP90AB2P, HSP90AA1 GAA 320/4885KDM4E 2879/4885LMNA 3947/4885

“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.

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