SCHEMBL931683

SCHEMBL931683

Cc1cccc(-n2c(S)nnc2-c2ccc(O)cc2O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.39
ACHE P22303 1/20 0.39
OPRD1 P41143 4/20 0.38
AOC1 P19801 1/20 0.37
MAOB P27338 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HSP90AA1 P07900 2/20 0.36
MEN1 O00255 2/20 0.36
POLB P06746 2/20 0.36
KMT2A Q03164 2/20 0.36
NRP1 O14786 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
TLR8 Q9NR97 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
ESR1 P03372 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL14345170 0.88 ALDH1A1 (0.40) NOTUMOPRD1AOC1TDP1MEN1
SCHEMBL8930492 0.87 ESR1 (0.37) AOC1MAOBTDP1HSP90AA1MEN1
SCHEMBL4940434 0.86 ACHE (0.41) NOTUMACHEOPRD1AOC1MAOB
SCHEMBL931416 0.86 ALOX5 (0.43) OPRD1HSP90AA1MEN1KMT2AESR1
SCHEMBL931338 0.86 GAA (0.43) NOTUMMEN1POLBKMT2ACYP1A2
SCHEMBL932177 0.85 ESR1 (0.48) NOTUMOPRD1TDP1HSP90AA1ESR1
SCHEMBL930093 0.85 ESR1 (0.48) NOTUMMAOBHSP90AA1MEN1KMT2A
SCHEMBL931765 0.85 ESR1 (0.46) NOTUMACHEMAOBTDP1HSP90AA1
SCHEMBL930436 0.84 OPRD1 (0.47) OPRD1HSP90AA1MEN1KMT2AESR1
SCHEMBL931454 0.81 ANPEP (0.44) AOC1MAOBHSP90AA1MEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2295416-A2 Triazole compounds that modulate HSP90 activity Synta Pharmaceuticals Corp. (US) 2011-03-16 EP claimed
EP-2298748-B1 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP (US) 2016-07-20 EP 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
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-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-9090569-B2 Triazone compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-07-28 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-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
WO-2007139952-A2 METHOD FOR THE PREPARATION OF TRIAZOLE COMPOUNDS WITH HSP90 MODULATING ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2007-12-06 WO 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 (4 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-20080004276-A1 Method for treating non-hodgkin's lymphoma HSP90AB1, HSP90AB2P, HSP90B1 NOTUM 657/4885ACHE 2993/4885OPRD1 4651/4885
US-20080027047-A1 Compounds that modulate HSP90 activity and methods for identifying same HSP90AB1, HSP90B1, CDC37 NOTUM 3362/4885ACHE 4855/4885OPRD1 4818/4885
US-20080004266-A1 Method for treating proliferative disorders associated with protooncogene products HSP90AB1, HSP90AB2P, HSP90AA1 NOTUM 3750/4885ACHE 4836/4885OPRD1 4861/4885
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 NOTUM 3702/4885ACHE 4868/4885OPRD1 4670/4885

“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.