SCHEMBL1148441

SCHEMBL1148441

Cc1cccc(C)c1-c1c(S)nnn1-c1ccc(O)cc1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.36
GAA P10253 2/20 0.36
SI P14410 2/20 0.36
MGAM2 Q2M2H8 2/20 0.36
HSP90AA1 P07900 2/20 0.33
KCNMA1 Q12791 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
ANPEP P15144 1/20 0.31
DPP4 P27487 1/20 0.31
PKMYT1 Q99640 2/20 0.31
EPHA3 P29320 1/20 0.31
WEE1 P30291 1/20 0.31
EPHB3 P54753 1/20 0.31
EPHB4 P54760 1/20 0.31
CREBBP Q92793 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 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
SCHEMBL1149533 0.90 HSP90AA1 (0.37) MGAMGAASIMGAM2HSP90AA1
SCHEMBL1148593 0.86 MGAM (0.36) MGAMGAASIMGAM2HSP90AA1
SCHEMBL1147862 0.86 HSP90AA1 (0.38) MGAMGAASIMGAM2HSP90AA1
SCHEMBL1148550 0.84 HSP90AA1 (0.37) HSP90AA1KCNMA1ANPEPDPP4
SCHEMBL1148503 0.84 ANPEP (0.34) HSP90AA1KCNMA1CYP1A2ANPEPDPP4
SCHEMBL1148468 0.82 MEN1 (0.39) GAACYP1A2CYP2C19MAOAMAOB
SCHEMBL5329381 0.81 TRPA1 (0.40) MGAMGAASIMGAM2KCNMA1
SCHEMBL2521030 0.81 DHODH (0.32) MGAMGAASIMGAM2KCNMA1
SCHEMBL1147781 0.80 ESR1 (0.35) CYP1A2CYP2C19ESR1ESR2
SCHEMBL1148350 0.80 ALOX5 (0.41) GAAHSP90AA1KCNMA1ESR1ESR2

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 35 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-2054059-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY Synta Pharmaceuticals Corporation (US) 2009-05-06 EP claimed
WO-2008021364-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2008-02-21 WO 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
US-20190144398-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS SYNTA PHARMACEUTICALS CORP. 2019-05-16 US disclosed
US-20170320837-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS SYNTA PHARMACEUTICALS CORP. 2017-11-09 US 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-9101614-B2 Method for treating non-Hodgkin's lymphoma SYNTA PHARMACEUTICALS CORP. (US) 2015-08-11 US disclosed
US-20100249185-A1 METHOD FOR INHIBITING TOPOISOMERASE II SYNTA PHARMACEUTICALS CORP. 2010-09-30 US disclosed
US-20080125587-A1 Synthesis of triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. 2008-05-29 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
WO-2007139952-A2 METHOD FOR THE PREPARATION OF TRIAZOLE COMPOUNDS WITH HSP90 MODULATING ACTIVITY 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 (8 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 MGAM 2866/4885GAA 589/4885SI 1129/4885
US-20100093717-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90AA1, HSP90AB2P MGAM 4638/4885GAA 1169/4885SI 3597/4885
US-20080004276-A1 Method for treating non-hodgkin's lymphoma HSP90AB1, HSP90AB2P, HSP90B1 MGAM 873/4885GAA 107/4885SI 3180/4885
US-20100249185-A1 METHOD FOR INHIBITING TOPOISOMERASE II TOP2A, TOP2B, TOP1 MGAM 1715/4885GAA 706/4885SI 1456/4885
US-20190144398-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS TNF, IL2, IL5 MGAM 609/4885GAA 655/4885SI 481/4885
US-20170320837-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS TNF, IL2, IL5 MGAM 609/4885GAA 655/4885SI 481/4885
US-20080004266-A1 Method for treating proliferative disorders associated with protooncogene products HSP90AB1, HSP90AB2P, HSP90AA1 MGAM 985/4885GAA 320/4885SI 3710/4885
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 MGAM 4388/4885GAA 2305/4885SI 4239/4885

“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.