SCHEMBL6746772

SCHEMBL6746772

COc1cccc(Cn2c(S)nnc2-c2cc(C(C)C)c(O)cc2O)c1OC

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
MIF P14174 3/20 0.40
CD74 P04233 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
P2RX7 Q99572 2/20 0.38
HSP90AA1 P07900 4/20 0.37
HSP90AB1 P08238 4/20 0.37
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 3/20 0.36
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
CRHBP P24387 1/20 0.35
MAPK1 P28482 1/20 0.35
CRHR2 Q13324 1/20 0.35
G6PD P11413 1/20 0.35

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
SCHEMBL11964507 0.88 HSP90AA1 (0.36) LMNAMAPTHSP90AA1HSP90AB1G6PD
SCHEMBL6746705 0.85 HSP90AA1 (0.40) HSP90AA1HSP90AB1KDM4EMEN1KMT2A
SCHEMBL3992305 0.82 GAA (0.40) LMNAMAPTMIFCD74P2RX7
SCHEMBL11964508 0.82 HSP90AA1 (0.43) HSP90AA1HSP90AB1MEN1KMT2AALDH1A1
SCHEMBL3991758 0.80 NPSR1 (0.44) LMNAMIFCD74HSP90AA1HSP90AB1
SCHEMBL6746905 0.78 HSP90AA1 (0.46) HSP90AA1HSP90AB1
SCHEMBL6746678 0.78 HSP90AA1 (0.56) MAPTSMN1; SMN2HSP90AA1HSP90AB1KDM4E
SCHEMBL6747039 0.78 HSP90AA1 (0.38) P2RX7HSP90AA1HSP90AB1KDM4EALDH1A1
SCHEMBL6746766 0.77 HSP90AA1 (0.45) LMNASMN1; SMN2HSP90AA1HSP90AB1KDM4E
SCHEMBL6746760 0.76 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130072461-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2013-03-21 US disclosed
US-8329736-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS, CORP. (US) 2012-12-11 US disclosed
US-20120202813-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2012-08-09 US disclosed
US-8183384-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2012-05-22 US disclosed
US-8183384-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2012-05-22 US disclosed
US-20080004277-A1 Triazole compounds that modulate HSP90 activity LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2008-01-03 US disclosed
US-20080004277-A1 Triazole compounds that modulate HSP90 activity LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2008-01-03 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 (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-20080004277-A1 Triazole compounds that modulate HSP90 activity HSP90AB1, HSP90B1, HSP90AA1 LMNA 4005/4885MAPT 2927/4885MIF 787/4885
US-20120202813-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 LMNA 4005/4885MAPT 2927/4885MIF 787/4885
US-20130072461-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 LMNA 4005/4885MAPT 2927/4885MIF 787/4885

“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.