SCHEMBL3470544

SCHEMBL3470544

CCOC(=O)C(=O)NCCN1CCOCC1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.62
GAA P10253 2/20 0.54
CYP3A4 P08684 1/20 0.53
LMNA P02545 3/20 0.52
KDM4E B2RXH2 2/20 0.52
TSHR P16473 2/20 0.52
ALDH1A1 P00352 2/20 0.50
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TP53 P04637 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL24937703 0.86 TDP1 (0.54) TDP1GAACYP3A4LMNAKDM4E
SCHEMBL2759481 0.84 TDP1 (0.57) TDP1CYP3A4TSHRALDH1A1POLB
SCHEMBL30522606 0.82 TDP1 (0.75) TDP1GAALMNAKDM4ETSHR
SCHEMBL13368454 0.81 TDP1 (0.69) TDP1GAALMNAKDM4ETSHR
SCHEMBL8345170 0.81 TSHR (0.55) TDP1CYP3A4LMNATSHRHSD17B10
SCHEMBL13589552 0.79 TDP1 (0.67) TDP1GAALMNAKDM4ETSHR
SCHEMBL22861375 0.79 ALDH1A1 (0.61) GAALMNAKDM4EALDH1A1HPGD
SCHEMBL2039034 0.78 TDP1 (0.51) TDP1CYP3A4LMNATSHRPOLB
SCHEMBL13368566 0.78 TDP1 (0.69) TDP1GAALMNAKDM4ETSHR
SCHEMBL11004754 0.77 TDP1 (0.50) TDP1GAACYP3A4LMNAKDM4E

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-9539243-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2017-01-10 US disclosed
US-20150126499-A1 Triazole Compounds that Modulate HSP90 Activity SYNTA PHARMACEUTICALS CORP (US) 2015-05-07 US disclosed
US-8937094-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-01-20 US disclosed
US-20130303493-A1 Triazole Compounds that Modulate HSP90 Activity SYNTA PHARMACEUTICALS CORP. (US) 2013-11-14 US disclosed
US-8486932-B2 Triazole compounds that modulate Hsp90 activity SYNTA PHARMACEUTICALS CORP. (US) 2013-07-16 US disclosed
US-20120101072-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2012-04-26 US disclosed
US-8106083-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2012-01-31 US disclosed
US-8106083-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2012-01-31 US disclosed
US-20100113447-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2010-05-06 US disclosed
US-20100113447-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2010-05-06 US disclosed
WO-2010017545-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARAMCEUTICALS CORP. (US) 2010-02-11 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-20150126499-A1 Triazole Compounds that Modulate HSP90 Activity HSP90AB1, HSP90B1, HSP90AA1 TDP1 576/4885GAA 932/4885CYP3A4 3049/4885
US-20100113447-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 TDP1 576/4885GAA 932/4885CYP3A4 3049/4885
US-20130303493-A1 Triazole Compounds that Modulate HSP90 Activity HSP90AB1, HSP90B1, HSP90AA1 TDP1 576/4885GAA 932/4885CYP3A4 3049/4885
US-20120101072-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 TDP1 576/4885GAA 932/4885CYP3A4 3049/4885

“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.