SCHEMBL974747

SCHEMBL974747

O=C(O)CCSc1nnc(-c2ccc(O)cc2O)n1-c1cccc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.49
RXRB P28702 3/20 0.49
RXRG P48443 3/20 0.49
RECQL P46063 1/20 0.49
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
HPGD P15428 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 2/20 0.40
HDAC3 O15379 1/20 0.40
PTK2 Q05397 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.38

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
SCHEMBL8931020 0.90 KDM4E (0.48) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL930765 0.88 TLR8 (0.43) RXRARXRBRXRGRECQLKDM4E
SCHEMBL12908632 0.82 TLR8 (0.42) ALDH1A1HSD17B10NPSR1HPGDMEN1
SCHEMBL8931412 0.81 HSP90AA1 (0.40) KDM4EALDH1A1HSD17B10NPSR1HPGD
SCHEMBL931433 0.81 TLR8 (0.52) RECQLKDM4EALDH1A1HSD17B10NPSR1
SCHEMBL4944734 0.80 TSHR (0.46) POLBPRNPRXFP1HSP90AA1HSP90AB1
SCHEMBL930634 0.79 TLR8 (0.39) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL931818 0.77 HSP90AA1 (0.43) ALDH1A1HPGDMEN1KMT2AHSP90AA1
SCHEMBL930617 0.75 HSP90AA1 (0.42) ALDH1A1HPGDMEN1KMT2ANPC1
SCHEMBL14184187 0.75 HSP90AA1 (0.42) KDM4EALDH1A1HSD17B10HPGDMEN1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-9090569-B2 Triazone compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-07-28 US disclosed
US-20150150851-A1 FORMULATION AND DOSING OF HSP90 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2015-06-04 US disclosed
US-20140363830-A1 COMPOUNDS THAT MODULATE HSP90 ACTIVITY AND METHODS FOR IDENTIFYING SAME SYNTA PHARMACEUTICALS CORP. (US) 2014-12-11 US disclosed
US-20130172333-A1 FORMULATION AND DOSING OF HSP90 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2013-07-04 US disclosed
US-8362055-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS, INC. (US) 2013-01-29 US disclosed
EP-1817295-B1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2012-11-07 EP disclosed
WO-2011146801-A1 FORMULATION AND DOSING OF HSP90 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2011-11-24 WO disclosed
US-20110105749-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2011-05-05 US disclosed
EP-2298748-A2 Triazole compounds that modulate HSP90 activity Synta Pharmaceuticals Corp. (US) 2011-03-23 EP disclosed
EP-2295416-A2 Triazole compounds that modulate HSP90 activity Synta Pharmaceuticals Corp. (US) 2011-03-16 EP 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-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 (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 RXRA 4232/4885RXRB 4247/4885RXRG 4548/4885
US-20130172333-A1 FORMULATION AND DOSING OF HSP90 INHIBITORY COMPOUNDS HSP90AB1, HSP90AA1, HSP90AB2P RXRA 2800/4885RXRB 2760/4885RXRG 2655/4885
US-20110009397-A1 TRIAZONE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90AB2P, HSP90AA1 RXRA 3695/4885RXRB 3584/4885RXRG 3648/4885
US-20150150851-A1 FORMULATION AND DOSING OF HSP90 INHIBITORY COMPOUNDS HSP90AB1, HSP90AA1, HSP90AB2P RXRA 2800/4885RXRB 2760/4885RXRG 2655/4885
US-20080027047-A1 Compounds that modulate HSP90 activity and methods for identifying same HSP90AB1, HSP90B1, CDC37 RXRA 3901/4885RXRB 3952/4885RXRG 3598/4885
US-20110105749-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 RXRA 3480/4885RXRB 3410/4885RXRG 3376/4885
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 RXRA 3471/4885RXRB 3514/4885RXRG 3468/4885

“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.