SCHEMBL19418327

SCHEMBL19418327

N=C1/C=C/CC/C=C\CCOC(=O)c2c(O)cc(O)c(Cl)c2C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 5/20 0.52
ACLY P53396 2/20 0.37
HSP90AA1 P07900 3/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NLRP3 Q96P20 1/20 0.36
CBR1 P16152 1/20 0.36
PTGS2 P35354 1/20 0.36
FTO Q9C0B1 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
STAT6 P42226 9/20 0.34
SMAD3 P84022 9/20 0.34
SMAD2 Q15796 9/20 0.34

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
SCHEMBL10186746 1.00 HSP90AB1 (0.52) HSP90AB1ACLYHSP90AA1MAPTGAA
SCHEMBL20840851 0.93 HSP90AB1 (0.50) HSP90AB1ACLYHSP90AA1MAPTGAA
SCHEMBL19418380 0.90 HSP90AB1 (0.44) HSP90AB1ACLYHSP90AA1MAPTGAA
SCHEMBL19418239 0.89 HSP90AB1 (0.41) HSP90AB1ACLYHSP90AA1STAT6SMAD3
SCHEMBL10150174 0.88 HSP90AB1 (0.66) HSP90AB1ACLYHSP90AA1MAPTGAA
SCHEMBL18871691 0.86 HSP90AB1 (0.44) HSP90AB1ACLYHSP90AA1MAPTGAA
SCHEMBL19418461 0.85 HSP90AB1 (0.52) HSP90AB1ACLYHSP90AA1MAPTGAA
SCHEMBL20840838 0.85 HSP90AB1 (0.48) HSP90AB1ACLYHSP90AA1MAPTGAA
SCHEMBL20840837 0.83 HSP90AB1 (0.42) HSP90AB1ACLYHSP90AA1MAPTGAA
SCHEMBL19417974 0.82 HSP90AB1 (0.48) HSP90AB1ACLYHSP90AA1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10239856-B2 Synthesis of resorcylic acid lactones useful as therapeutic agents UNIVERSITY DE STRASBOURG (FR) 2019-03-26 US disclosed
EP-2136799-B1 MACROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES AND HSP90 UNIV STRASBOURG (FR) 2017-10-04 EP disclosed
US-9051302-B2 Synthesis of resorcylic acid lactones useful as therapeutic agents UNIVERSITE DE STRASBOURG (FR) 2015-06-09 US disclosed
US-8450305-B2 Macrocyclic compounds useful as inhibitors of kinases and HSP90 UNIVERSITE DE STRASBOURG (FR) 2013-05-28 US disclosed
US-20120077775-A1 MACROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES AND HSP90 LE CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-03-29 US disclosed
US-8067412-B2 analogs of natural products radicicol and pochonins; (oxirane or cyclopropan) 2-benzoxacyclo(di)tetradecin derivatives; inhibition of kinase phosphorylation activity and heat shock proteins; anticarcinogenic, antiinflammatory agent; neurodegenerative diseases; antiallergen UNIVERSITE DE STRASBOURG (FR) 2011-11-29 US disclosed
US-20110217335-A1 SYNTHESIS OF RESORCYLIC ACID LACTONES USEFUL AS THERAPEUTIC AGENTS UNIVERSITE DE STRASBOURG (FR) 2011-09-08 US disclosed
US-20080146545-A1 Macrocyclic compounds useful as inhibitors of kinases and HSP90 UNIVERSITE DE STRASBOURG (FR) 2008-06-19 US disclosed
WO-2008021213-A1 MACROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES AND HSP90 WINSSINGER NICOLAS (FR) 2008-02-21 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 (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-20120077775-A1 MACROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES AND HSP90 HSP90AB1, HSP90AA1, HSP90AB2P HSP90AB1 1/4885ACLY 403/4885HSP90AA1 2/4885
US-20110217335-A1 SYNTHESIS OF RESORCYLIC ACID LACTONES USEFUL AS THERAPEUTIC AGENTS HSP90AA1, HSP90AB1, HSP90AB2P HSP90AB1 2/4885ACLY 178/4885HSP90AA1 1/4885
US-10239856-B2 Synthesis of resorcylic acid lactones useful as therapeutic agents HSP90AA1, HSP90AB1, HSP90AB2P HSP90AB1 2/4885ACLY 178/4885HSP90AA1 1/4885
US-20080146545-A1 Macrocyclic compounds useful as inhibitors of kinases and HSP90 HSP90AB1, HSP90AA1, HSP90AB2P HSP90AB1 1/4885ACLY 403/4885HSP90AA1 2/4885

“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.