SCHEMBL1344290

SCHEMBL1344290

COc1cc(-n2nnc(NC(O)=S)c2-c2cccc(C(C)C)c2)c(O)cc1O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.38
CTSA P10619 6/20 0.33
JAK2 O60674 1/20 0.33
MAPT P10636 2/20 0.32
HDAC4 P56524 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30
GPR55 Q9Y2T6 1/20 0.30
SCN9A Q15858 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL1344291 0.88 NR1I2 (0.41) NR1I2CTSAJAK2MAPTHDAC4
SCHEMBL2517261 0.78 NR1I2 (0.37) NR1I2CTSAJAK2HDAC4HDAC8
SCHEMBL931409 0.68 HSP90AA1 (0.41) NR1I2
SCHEMBL1148557 0.66 PDE4D (0.37) CTSAALDH1A1MEN1KMT2A
SCHEMBL1342900 0.65 SLC16A3 (0.41) MAPTRXRARXRBKDM4EALDH1A1
SCHEMBL5487498 0.63 PARP1 (0.33)
SCHEMBL12180229 0.62 HSP90AA1 (0.37)
SCHEMBL16285392 0.61 HSP90AA1 (0.40) NR1I2
SCHEMBL12672108 0.61 HSP90AA1 (0.45) NR1I2
SCHEMBL1148534 0.57 DHODH (0.41) MAPTHDAC4HDAC8KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188075-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2012-05-29 US claimed
EP-2298748-A2 Triazole compounds that modulate HSP90 activity Synta Pharmaceuticals Corp. (US) 2011-03-23 EP claimed
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 claimed
US-20100093717-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP 2010-04-15 US claimed
EP-1817295-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY Synta Pharmaceuticals Corporation (US) 2007-08-15 EP claimed
WO-2006055760-A9 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2006-09-21 WO claimed
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 claimed
WO-2006055760-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2006-05-26 WO claimed
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-9101614-B2 Method for treating non-Hodgkin's lymphoma SYNTA PHARMACEUTICALS CORP. (US) 2015-08-11 US disclosed
US-20150174134-A1 METHOD FOR INHIBITING TOPOISOMERASE II SYNTA PHARMACEUTICALS CORP (US) 2015-06-25 US disclosed
US-20150094349-A1 Method for Treating Proliferative Disorders Associated with Protooncogene Products SYNTA PHARMACEUTICALS CORP (US) 2015-04-02 US disclosed
US-8993608-B2 Method for inhibiting topoisomerase II SYNTA PHARMACEUTICALS CORP. (US) 2015-03-31 US disclosed
US-8034834-B2 Method for treating proliferative disorders with HSP90 inhibitors SYNTA PHARMACEUTICALS CORP. (US) 2011-10-11 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-20100273846-A1 METHOD FOR TREATING PROLIFERATIVE DISORDERS ASSOCIATED WITH MUTATIONS IN C-MET LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2010-10-28 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

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-20150174134-A1 METHOD FOR INHIBITING TOPOISOMERASE II TOP2A, TOP2B, TOP1 NR1I2 1536/4885CTSA 2179/4885JAK2 2735/4885
US-20150094349-A1 Method for Treating Proliferative Disorders Associated with Protooncogene Products HSP90AB1, HSP90AB2P, HSP90AA1 NR1I2 4063/4885CTSA 1869/4885JAK2 127/4885
US-20100093717-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90AA1, HSP90AB2P NR1I2 772/4885CTSA 1394/4885JAK2 70/4885
US-20080004276-A1 Method for treating non-hodgkin's lymphoma HSP90AB1, HSP90AB2P, HSP90B1 NR1I2 3214/4885CTSA 591/4885JAK2 2165/4885
US-20100273846-A1 METHOD FOR TREATING PROLIFERATIVE DISORDERS ASSOCIATED WITH MUTATIONS IN C-MET HSP90AB1, HSP90B1, HSP90AA1 NR1I2 3254/4885CTSA 1955/4885JAK2 614/4885
US-20080004266-A1 Method for treating proliferative disorders associated with protooncogene products HSP90AB1, HSP90AB2P, HSP90AA1 NR1I2 4063/4885CTSA 1869/4885JAK2 127/4885
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 NR1I2 726/4885CTSA 1207/4885JAK2 1150/4885

“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.