Sugi Predict

Sugi Predict / Compounds / SCHEMBL976582

SCHEMBL976582

SCHEMBL976582

CCOC(=O)Oc1cc(O)c(-c2nnc(O)n2-c2ccc3ccccc3c2)cc1CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ MAPK1 P28482 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPT P10636 1/20 0.36
▸ MAPK9 P45984 1/20 0.35
▸ MAPK10 P53779 1/20 0.35
▸ LMNA P02545 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HTT P42858 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ HSP90AA1 P07900 5/20 0.35
▸ HSP90AB1 P08238 5/20 0.35
▸ CCKAR P32238 3/20 0.34
▸ MEN1 O00255 1/20 0.34

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
SCHEMBL8931054 0.83 LMNA (0.39) KDM4EMAPK1ALOX15TSHRMAPT
SCHEMBL13808430 0.74 LMNA (0.40) KDM4EMAPK1ALOX15MAPTLMNA
SCHEMBL8931055 0.70 HSP90AA1 (0.51) HSP90AA1HSP90AB1
SCHEMBL974059 0.69 CYP2D6 (0.42) MAPK1ALOX15TSHRALDH1A1CYP1A2
SCHEMBL12315105 0.67 TNF (0.47) KDM4ENPC1TSHRMAPTLMNA
SCHEMBL1341291 0.65 HSP90AA1 (0.35) KDM4EMAPK1ALOX15MAPTLMNA
SCHEMBL13808429 0.65 KMT2A (0.38) KDM4EALOX15MAPTLMNAALDH1A1
SCHEMBL930746 0.65 HSP90AA1 (0.38) KDM4EMAPTLMNAALDH1A1HSP90AA1
SCHEMBL420154 0.64 HSP90AA1 (0.40) HSP90AA1HSP90AB1
SCHEMBL18050488 0.64 ALDH1A1 (0.46) KDM4ENPC1MAPTLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150150851-A1 FORMULATION AND DOSING OF HSP90 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2015-06-04 — — US claimed
US-20130116253-A1 Novel HSP90 Inhibitor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-05-09 — — US claimed
US-20130116252-A1 Novel HSP90 Inhibitor NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-05-09 — — US claimed
WO-2011146801-A1 FORMULATION AND DOSING OF HSP90 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2011-11-24 — — WO claimed
US-8053456-B2 Triazole compounds that modulate Hsp90 activity SYNTA PHARMACEUTICALS CORP. (US) 2011-11-08 — — US claimed
US-20080176840-A1 e.g. 4-(4-(6-(N-(2-methoxyethyl)-N-methylamino)pyridin-3-yl)-5-hydroxy-4H-1,2,4-triazol-3-yl)-6-isopropylbenzene-1,3-diol; Heat Shock Protein 90 (HSP90) modulator; antiproliferative, anticarcinogenic, antiinflammatory agent; angiogenesis inhibition, infections SYNTA PHARMACEUTICALS CORP 2008-07-24 — — US claimed
EP-2298748-B1 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP (US) 2016-07-20 — — EP disclosed
EP-2295416-B1 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP (US) 2016-01-27 — — EP disclosed
US-9206162-B2 Triazole compounds that modulate Hsp90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-12-08 — — US disclosed
US-20150266858-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2015-09-24 — — US disclosed
US-9090569-B2 Triazone compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-07-28 — — US disclosed
US-9006277-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-04-14 — — US disclosed
US-20140371222-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2014-12-18 — — US disclosed
US-20110009397-A1 TRIAZONE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2011-01-13 — — US disclosed
US-7825148-B2 heat shock protein 90 inhibitors such as 3-(2-Hydroxyphenyl)-4-(naphthalen-1-yl)-5-mercapto-triazole, used for for preventing or treating hyperproliferative disorders, such as cancer SYNTA PHARMACEUTICALS CORP. (US) 2010-11-02 — — US disclosed
US-20100093717-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP 2010-04-15 — — US disclosed
US-20080176840-A1 e.g. 4-(4-(6-(N-(2-methoxyethyl)-N-methylamino)pyridin-3-yl)-5-hydroxy-4H-1,2,4-triazol-3-yl)-6-isopropylbenzene-1,3-diol; Heat Shock Protein 90 (HSP90) modulator; antiproliferative, anticarcinogenic, antiinflammatory agent; angiogenesis inhibition, infections SYNTA PHARMACEUTICALS CORP 2008-07-24 — — 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-20060167070-A1 heat shock protein 90 inhibitors such as 3-(2-Hydroxyphenyl)-4-(naphthalen-1-yl)-5-mercapto-triazole, used for for preventing or treating hyperproliferative disorders, such as cancer LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2006-07-27 — — 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-20080125587-A1 Synthesis of triazole compounds that modulate HSP90 activity HSP90AB1, HSP90AA1, HSP90AB2P KDM4E 2835/4885NPC1 2073/4885MAPK1 920/4885
US-20130116252-A1 Novel HSP90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 KDM4E 3055/4885NPC1 1521/4885MAPK1 287/4885
US-20130116253-A1 Novel HSP90 Inhibitor HSP90AB1, HSP90AB2P, HSP90B1 KDM4E 3055/4885NPC1 1521/4885MAPK1 287/4885
US-20140371222-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 KDM4E 3468/4885NPC1 1235/4885MAPK1 1336/4885
US-20100093717-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90AA1, HSP90AB2P KDM4E 3814/4885NPC1 1129/4885MAPK1 2002/4885
US-20110009397-A1 TRIAZONE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90AB2P, HSP90AA1 KDM4E 3421/4885NPC1 1575/4885MAPK1 2048/4885
US-20080176840-A1 e.g. 4-(4-(6-(N-(2-methoxyethyl)-N-methylamino)pyridin-3-yl)-5-hydroxy-4H-1,2,4-triazol-3-yl)-6-isopropylbenzene-1,3-diol; Heat Shock Protein 90 (HSP90) modulator; antiproliferative, anticarcinogenic, antiinflammatory agent; angiogenesis inhibition, infections HSP90AB1, HSP90AB2P, HSP90B1 KDM4E 2745/4885NPC1 3114/4885MAPK1 682/4885
US-20150150851-A1 FORMULATION AND DOSING OF HSP90 INHIBITORY COMPOUNDS HSP90AB1, HSP90AA1, HSP90AB2P KDM4E 4422/4885NPC1 660/4885MAPK1 1724/4885
US-20080027047-A1 Compounds that modulate HSP90 activity and methods for identifying same HSP90AB1, HSP90B1, CDC37 KDM4E 3500/4885NPC1 1592/4885MAPK1 1561/4885
US-20150266858-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 KDM4E 3468/4885NPC1 1235/4885MAPK1 1336/4885
US-20060167070-A1 heat shock protein 90 inhibitors such as 3-(2-Hydroxyphenyl)-4-(naphthalen-1-yl)-5-mercapto-triazole, used for for preventing or treating hyperproliferative disorders, such as cancer HSP90AB1, HSP90AB2P, HSP90AA1 KDM4E 3383/4885NPC1 1229/4885MAPK1 951/4885

“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.