Pochonin A

Pochonin A

SCHEMBL10150819

C[C@@H]1C[C@H]2O[C@H]2CC/C=C/C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 4/20 1.00
MAPT P10636 3/20 0.66
HSP90AA1 P07900 2/20 0.66
GAA P10253 1/20 0.66
RAB9A P51151 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
NLRP3 Q96P20 1/20 0.66
CBR1 P16152 1/20 0.66
PTGS2 P35354 1/20 0.66
ACLY P53396 1/20 0.66
FTO Q9C0B1 1/20 0.66
MEN1 O00255 1/20 0.66
ALDH1A1 P00352 1/20 0.66
HPGD P15428 1/20 0.66
KMT2A Q03164 1/20 0.66
F13A1 P00488 1/20 0.49
TGM2 P21980 1/20 0.49
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41

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
Pochonin A SCHEMBL10150818 1.00 HSP90AB1 (1.00) HSP90AB1MAPTHSP90AA1GAARAB9A
Pochonin A SCHEMBL10150715 1.00 HSP90AB1 (1.00) HSP90AB1MAPTHSP90AA1GAARAB9A
Pochonin A SCHEMBL10150098 1.00 HSP90AB1 (1.00) HSP90AB1MAPTHSP90AA1GAARAB9A
Pochonin A SCHEMBL10150114 1.00 HSP90AB1 (1.00) HSP90AB1MAPTHSP90AA1GAARAB9A
Pochonin A SCHEMBL10150463 1.00 HSP90AB1 (1.00) HSP90AB1MAPTHSP90AA1GAARAB9A
Pochonin A SCHEMBL869073 1.00 HSP90AB1 (1.00) HSP90AB1MAPTHSP90AA1GAARAB9A
Pochonin A SCHEMBL19418057 1.00 HSP90AB1 (1.00) HSP90AB1MAPTHSP90AA1GAARAB9A
SCHEMBL10150470 0.89 HSP90AB1 (0.80) HSP90AB1MAPTHSP90AA1GAARAB9A
SCHEMBL19418343 0.88 HSP90AB1 (0.78) HSP90AB1MAPTHSP90AA1GAARAB9A
SCHEMBL10150100 0.87 HSP90AB1 (0.77) HSP90AB1MAPTHSP90AA1GAARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450305-B2 Macrocyclic compounds useful as inhibitors of kinases and HSP90 UNIVERSITE DE STRASBOURG (FR) 2013-05-28 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-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-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-20100292218-A1 Treatment Of Neurofibromatosis With Radicicol And Its Derivatives NEXGENIX PHARMACEUTICALS HOLDINGS, INC. 2010-11-18 US disclosed
US-20100292218-A1 Treatment Of Neurofibromatosis With Radicicol And Its Derivatives NEXGENIX PHARMACEUTICALS HOLDINGS, INC. 2010-11-18 US disclosed
US-20080146545-A1 Macrocyclic compounds useful as inhibitors of kinases and HSP90 UNIVERSITE DE STRASBOURG (FR) 2008-06-19 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 (3 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 1/4885MAPT 1982/4885HSP90AA1 2/4885
US-20100292218-A1 Treatment Of Neurofibromatosis With Radicicol And Its Derivatives HSP90AB2P, HSP90AA1, HSPA2 HSP90AB1 4/4885MAPT 2339/4885HSP90AA1 2/4885
US-20080146545-A1 Macrocyclic compounds useful as inhibitors of kinases and HSP90 HSP90AB1, HSP90AA1, HSP90AB2P HSP90AB1 1/4885MAPT 1982/4885HSP90AA1 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.