SCHEMBL8930611

SCHEMBL8930611

CCc1cc(-c2n[nH]c(=S)n2-c2cccc3ccccc23)c(O)cc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.61
HSP90AB1 P08238 2/20 0.61
ALDH1A1 P00352 9/20 0.52
HPGD P15428 8/20 0.52
POLB P06746 2/20 0.52
TDP1 Q9NUW8 2/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
MAPT P10636 2/20 0.49
GAA P10253 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
KDM4E B2RXH2 3/20 0.49
GLA P06280 1/20 0.49
LMNA P02545 1/20 0.48
ATM Q13315 1/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
USP2 O75604 1/20 0.48
BLM P54132 1/20 0.48
GFER P55789 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL14293132 0.96 HSP90AA1 (0.61) HSP90AA1HSP90AB1ALDH1A1HPGDPOLB
SCHEMBL14345419 0.94 HSP90AA1 (0.59) HSP90AA1HSP90AB1ALDH1A1HPGDPOLB
SCHEMBL8930858 0.92 HSP90AA1 (0.59) HSP90AA1HSP90AB1ALDH1A1HPGDPOLB
SCHEMBL12180064 0.91 HSP90AA1 (0.51) HSP90AA1HSP90AB1ALDH1A1HPGDPOLB
SCHEMBL14293304 0.90 HSP90AA1 (0.49) HSP90AA1HSP90AB1ALDH1A1HPGDPOLB
SCHEMBL8931075 0.90 HSP90AA1 (0.49) HSP90AA1HSP90AB1ALDH1A1HPGDPOLB
SCHEMBL14344623 0.89 HSP90AA1 (0.48) HSP90AA1HSP90AB1ALDH1A1HPGDPOLB
SCHEMBL8930870 0.89 HSP90AA1 (0.58) HSP90AA1HSP90AB1ALDH1A1HPGDPOLB
SCHEMBL8930766 0.88 HSP90AA1 (0.55) HSP90AA1HSP90AB1ALDH1A1HPGDPOLB
SCHEMBL12045810 0.88 HSP90AA1 (0.60) 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 69 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10357573-B2 Block copolymer conjugate of physiologically active substance NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2019-07-23 US disclosed
US-20180050112-A1 Block Copolymer Conjugate Of Physiologically Active Substance NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2018-02-22 US disclosed
US-20180050112-A1 Block Copolymer Conjugate Of Physiologically Active Substance NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2018-02-22 US disclosed
US-20160279164-A1 High-Molecular Weight Conjugate Of Resorcinol Derivatives NIPPON KAYAKU KK (JP) 2016-09-29 US disclosed
US-20160279164-A1 High-Molecular Weight Conjugate Of Resorcinol Derivatives NIPPON KAYAKU KK (JP) 2016-09-29 US disclosed
WO-2016136641-A1 BLOCK COPOLYMER CONJUGATE OF PHYSIOLOGICALLY ACTIVE SUBSTANCE 日本化薬株式会社 2016-09-01 WO disclosed
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-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-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
WO-2008021364-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2008-02-21 WO 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
WO-2007139960-A2 COMPOUNDS THAT MODULATE HSP90 ACTIVITY AND METHODS FOR IDENTIFYING SAME SYNTA PHARMACEUTICALS CORP. (US) 2007-12-06 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 (7 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 HSP90AA1 2/4885HSP90AB1 1/4885ALDH1A1 246/4885
US-20160279164-A1 High-Molecular Weight Conjugate Of Resorcinol Derivatives WDR48, SLC43A1, LRAT HSP90AA1 389/4885HSP90AB1 765/4885ALDH1A1 894/4885
US-20180050112-A1 Block Copolymer Conjugate Of Physiologically Active Substance TACR1, PLAUR, LNPEP HSP90AA1 1435/4885HSP90AB1 1364/4885ALDH1A1 1272/4885
US-20080004276-A1 Method for treating non-hodgkin's lymphoma HSP90AB1, HSP90AB2P, HSP90B1 HSP90AA1 4/4885HSP90AB1 1/4885ALDH1A1 1036/4885
US-20080027047-A1 Compounds that modulate HSP90 activity and methods for identifying same HSP90AB1, HSP90B1, CDC37 HSP90AA1 4/4885HSP90AB1 1/4885ALDH1A1 2231/4885
US-20080004266-A1 Method for treating proliferative disorders associated with protooncogene products HSP90AB1, HSP90AB2P, HSP90AA1 HSP90AA1 3/4885HSP90AB1 1/4885ALDH1A1 1385/4885
US-10357573-B2 Block copolymer conjugate of physiologically active substance TACR1, PLAUR, LNPEP HSP90AA1 1435/4885HSP90AB1 1364/4885ALDH1A1 1272/4885

“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.