SCHEMBL12046449

SCHEMBL12046449

CCOP(=O)(O)Oc1n[nH]c(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(OC)c(N(C)CC)c1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 11/20 0.33
▸ HSP90AB1 P08238 10/20 0.33
▸ ALDH1A1 P00352 2/20 0.31
▸ TP53 P04637 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ ALOX12 P18054 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL12046453 0.92 HSP90AA1 (0.34) HSP90AA1HSP90AB1
SCHEMBL1344457 0.84 HSP90AA1 (0.32) HSP90AA1HSP90AB1ALDH1A1TP53KMT2A
SCHEMBL1148835 0.83 HSP90AA1 (0.38) HSP90AA1HSP90AB1ALDH1A1MEN1NPC1
SCHEMBL2517374 0.83 HSP90AA1 (0.33) HSP90AA1HSP90AB1ALDH1A1MEN1NPC1
SCHEMBL1147883 0.82 HSP90AA1 (0.37) HSP90AA1HSP90AB1ALDH1A1LMNAALOX12
SCHEMBL14609804 0.77 GABRA1 (0.40) HSP90AA1HSP90AB1ALDH1A1MEN1LMNA
SCHEMBL14609914 0.77 ALDH1A1 (0.34) HSP90AA1HSP90AB1ALDH1A1MEN1NPC1
SCHEMBL1148531 0.75 CHEK1 (0.34) HSP90AA1HSP90AB1ALDH1A1LMNAALOX12
SCHEMBL1148555 0.74 HSP90AA1 (0.37) HSP90AA1HSP90AB1ALDH1A1MEN1NPC1
SCHEMBL1148822 0.73 HSP90AA1 (0.43) HSP90AA1HSP90AB1

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
US-9108933-B2 Method for treating proliferative disorders associated with mutations in c-Met SYNTA PHARMACEUTICALS CORP. (US) 2015-08-18 — — US 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-9101614-B2 Method for treating non-Hodgkin's lymphoma SYNTA PHARMACEUTICALS CORP. (US) 2015-08-11 — — US disclosed
US-20150094349-A1 Method for Treating Proliferative Disorders Associated with Protooncogene Products SYNTA PHARMACEUTICALS CORP (US) 2015-04-02 — — US disclosed
US-20150094349-A1 Method for Treating Proliferative Disorders Associated with Protooncogene Products SYNTA PHARMACEUTICALS CORP (US) 2015-04-02 — — US disclosed
US-8969396-B2 Method for treating a B-raf associated cancer with an Hsp90 inhibitor SYNTA PHARMACEUTICALS CORP. (US) 2015-03-03 — — US disclosed
US-8969396-B2 Method for treating a B-raf associated cancer with an Hsp90 inhibitor SYNTA PHARMACEUTICALS CORP. (US) 2015-03-03 — — US disclosed
US-8921407-B2 Pyrazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2014-12-30 — — US disclosed
US-8921407-B2 Pyrazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2014-12-30 — — US disclosed
US-20100069442-A1 PYRAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2010-03-18 — — US disclosed
US-20100069442-A1 PYRAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2010-03-18 — — US disclosed
US-7608635-B2 heat shock protein 90 inhibitors; antiproliferative agents; angiogenesis inhibitors SYNTA PHARMACEUTICALS CORP. (US) 2009-10-27 — — US disclosed
US-7608635-B2 heat shock protein 90 inhibitors; antiproliferative agents; angiogenesis inhibitors SYNTA PHARMACEUTICALS CORP. (US) 2009-10-27 — — US disclosed
US-20080004276-A1 Method for treating non-hodgkin's lymphoma LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2008-01-03 — — 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
US-20080004266-A1 Method for treating proliferative disorders associated with protooncogene products LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2008-01-03 — — US disclosed
US-20070191445-A1 heat shock protein 90 inhibitors; antiproliferative agents; angiogenesis inhibitors LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2007-08-16 — — US disclosed
US-20070191445-A1 heat shock protein 90 inhibitors; antiproliferative agents; angiogenesis inhibitors LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2007-08-16 — — 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 (5 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-20070191445-A1 heat shock protein 90 inhibitors; antiproliferative agents; angiogenesis inhibitors HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885HSP90AB1 1/4885ALDH1A1 1618/4885
US-20100069442-A1 PYRAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90AA1, HSP90B1 HSP90AA1 2/4885HSP90AB1 1/4885ALDH1A1 1744/4885
US-20150094349-A1 Method for Treating Proliferative Disorders Associated with Protooncogene Products HSP90AB1, HSP90AB2P, HSP90AA1 HSP90AA1 3/4885HSP90AB1 1/4885ALDH1A1 1385/4885
US-20080004276-A1 Method for treating non-hodgkin's lymphoma HSP90AB1, HSP90AB2P, HSP90B1 HSP90AA1 4/4885HSP90AB1 1/4885ALDH1A1 1036/4885
US-20080004266-A1 Method for treating proliferative disorders associated with protooncogene products HSP90AB1, HSP90AB2P, HSP90AA1 HSP90AA1 3/4885HSP90AB1 1/4885ALDH1A1 1385/4885

“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.

Send feedback