SCHEMBL254266

SCHEMBL254266

C=CCN1C(=O)COc2cc3c(O)c(c21)C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\C=C(/C)C(=O)N3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 18/20 1.00
HSP90AB1 P08238 8/20 1.00
PDGFRA P16234 1/20 0.68
ALDH1A1 P00352 1/20 0.53
ERBB2 P04626 1/20 0.51

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
SCHEMBL254267 1.00 HSP90AA1 (1.00) HSP90AA1HSP90AB1PDGFRAALDH1A1ERBB2
SCHEMBL140280 0.96 HSP90AA1 (0.92) HSP90AA1HSP90AB1PDGFRAALDH1A1ERBB2
SCHEMBL12656260 0.93 HSP90AA1 (0.87) HSP90AA1HSP90AB1PDGFRAALDH1A1ERBB2
SCHEMBL14370442 0.91 HSP90AA1 (0.83) HSP90AA1HSP90AB1PDGFRAALDH1A1ERBB2
SCHEMBL13037483 0.84 HSP90AA1 (1.00) HSP90AA1HSP90AB1PDGFRAALDH1A1ERBB2
SCHEMBL13215948 0.84 HSP90AA1 (1.00) HSP90AA1HSP90AB1PDGFRAALDH1A1ERBB2
SCHEMBL255010 0.84 HSP90AA1 (1.00) HSP90AA1HSP90AB1PDGFRAALDH1A1ERBB2
SCHEMBL10161901 0.82 HSP90AA1 (0.78) HSP90AA1HSP90AB1PDGFRAALDH1A1ERBB2
SCHEMBL15160486 0.82 HSP90AA1 (0.78) HSP90AA1HSP90AB1PDGFRAALDH1A1ERBB2
SCHEMBL14219074 0.82 HSP90AA1 (0.80) HSP90AA1HSP90AB1PDGFRAALDH1A1ERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2492261-B1 Analogs of benzoquinone-containing ansamycins for the treatment of cancer INFINITY DISCOVERY INC (US) 2015-02-18 EP disclosed
US-20130203724-A1 Analogs of Benzoquinone-Containing Ansamycins and Methods of Use Thereof INFINITY DISCOVERY, INC. (US) 2013-08-08 US disclosed
US-8252779-B2 Analogs of benzoquinone-containing ansamycins and methods of use thereof INFINITY PHARMACEUTICALS, INC. (US) 2012-08-28 US disclosed
US-20120108563-A1 Methods Of Treating Liposarcoma INFINITY PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20120058982-A1 Analogs of Benzoquinone-Containing Ansamycins and Methods of Use Thereof INFINITY PHARMACEUTICALS, INC. (US) 2012-03-08 US disclosed
US-8003634-B2 Analogs of benzoquinone-containing ansamycins and methods of use thereof INFINITY PHARMACEUTICALS, INC. (US) 2011-08-23 US disclosed
US-20110118298-A1 COMPOSITIONS, KITS, AND METHODS FOR IDENTIFICATION, ASSESSMENT, PREVENTION, AND THERAPY OF CANCER INFINITY PHARMACEUTICALS, INC. (US) 2011-05-19 US disclosed
US-20110086110-A1 Analogs of Benzoquinone-Containing Ansamycins and Methods of Use Thereof INFINITY DISCOVERY, INC. (US) 2011-04-14 US disclosed
US-7833997-B2 Analogs of benzoquinone-containing ansamycins and methods of use thereof INFINITY PHARMACEUTICALS, INC. (US) 2010-11-16 US disclosed
US-7833997-B2 Analogs of benzoquinone-containing ansamycins and methods of use thereof INFINITY PHARMACEUTICALS, INC. (US) 2010-11-16 US disclosed
US-20090088414-A1 Analogs of Benzoquinone-Containing Ansamycins and Methods of Use Thereof ADAMS JULIAN 2009-04-02 US disclosed
US-20090088414-A1 Analogs of Benzoquinone-Containing Ansamycins and Methods of Use Thereof ADAMS JULIAN 2009-04-02 US disclosed
US-20090069280-A1 ANALOGS OF BENZOQUINONE-CONTAINING ANSAMYCINS AND METHODS OF USE THEREOF ADAMS JULIAN 2009-03-12 US disclosed
US-20090069280-A1 ANALOGS OF BENZOQUINONE-CONTAINING ANSAMYCINS AND METHODS OF USE THEREOF ADAMS JULIAN 2009-03-12 US disclosed
US-20090062250-A1 Analogs of Benzoquinone-Containing Ansamycins and Methods of Use Thereof INFINITY PHARMACEUTICALS, INC. 2009-03-05 US disclosed
US-20090062250-A1 Analogs of Benzoquinone-Containing Ansamycins and Methods of Use Thereof INFINITY PHARMACEUTICALS, INC. 2009-03-05 US disclosed
US-7375217-B2 Analogs of benzoquinone-containing ansamycins and methods of use thereof INFINITY PHARMACEUTICALS, INC. (US) 2008-05-20 US disclosed
US-7375217-B2 Analogs of benzoquinone-containing ansamycins and methods of use thereof INFINITY PHARMACEUTICALS, INC. (US) 2008-05-20 US disclosed
US-7361647-B2 Analogs of benzoquinone-containing ansamycins and methods of use thereof INFINITY PHARMACEUTICALS, INC. (US) 2008-04-22 US disclosed
US-7361647-B2 Analogs of benzoquinone-containing ansamycins and methods of use thereof INFINITY PHARMACEUTICALS, INC. (US) 2008-04-22 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 (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-20130203724-A1 Analogs of Benzoquinone-Containing Ansamycins and Methods of Use Thereof HSP90B1, CDC37, NPM1 HSP90AA1 14/4885HSP90AB1 10/4885PDGFRA 2633/4885
US-20090088414-A1 Analogs of Benzoquinone-Containing Ansamycins and Methods of Use Thereof HSP90B1, CDC37, NPM1 HSP90AA1 14/4885HSP90AB1 10/4885PDGFRA 2633/4885
US-20120058982-A1 Analogs of Benzoquinone-Containing Ansamycins and Methods of Use Thereof HSP90B1, CDC37, NPM1 HSP90AA1 14/4885HSP90AB1 10/4885PDGFRA 2633/4885
US-20110086110-A1 Analogs of Benzoquinone-Containing Ansamycins and Methods of Use Thereof HSP90B1, CDC37, NPM1 HSP90AA1 14/4885HSP90AB1 10/4885PDGFRA 2633/4885
US-20110118298-A1 COMPOSITIONS, KITS, AND METHODS FOR IDENTIFICATION, ASSESSMENT, PREVENTION, AND THERAPY OF CANCER HSP90AB1, HSP90AA1, HSP90B1 HSP90AA1 2/4885HSP90AB1 1/4885PDGFRA 2254/4885
US-20090062250-A1 Analogs of Benzoquinone-Containing Ansamycins and Methods of Use Thereof HSP90B1, CDC37, NPM1 HSP90AA1 14/4885HSP90AB1 10/4885PDGFRA 2633/4885
US-20120108563-A1 Methods Of Treating Liposarcoma HSP90AB1, HSP90AA1, HSP90B1 HSP90AA1 2/4885HSP90AB1 1/4885PDGFRA 2343/4885
US-20090069280-A1 ANALOGS OF BENZOQUINONE-CONTAINING ANSAMYCINS AND METHODS OF USE THEREOF HSP90B1, CDC37, NPM1 HSP90AA1 14/4885HSP90AB1 10/4885PDGFRA 2633/4885

“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.