SCHEMBL1981190

SCHEMBL1981190

COc1cc(CCN=C=S)cc(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MIF P14174 10/20 0.49
TRPA1 O75762 1/20 0.48
CYP2E1 P05181 1/20 0.48
CYP2A6 P11509 1/20 0.48
HIF1A Q16665 1/20 0.48
CYP2A13 Q16696 1/20 0.48
EPAS1 Q99814 1/20 0.48
CYP19A1 P11511 1/20 0.44
CALM1 P0DP23 3/20 0.42
AKR1B1 P15121 1/20 0.42
ALDH1A1 P00352 1/20 0.41
DAO P14920 1/20 0.38
PTGS2 P35354 1/20 0.38

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
SCHEMBL1847534 0.81 CYP19A1 (0.44) CYP19A1CALM1AKR1B1ALDH1A1DAO
SCHEMBL4701206 0.81 MIF (0.68) MIFTRPA1CYP2E1CYP2A6HIF1A
SCHEMBL13623241 0.80 MIF (0.64) MIFTRPA1CYP2E1CYP2A6HIF1A
SCHEMBL9491787 0.75 CYP19A1 (0.68) CYP19A1CALM1AKR1B1ALDH1A1DAO
SCHEMBL1973945 0.74 ATM (0.54) MIFTRPA1CYP2E1CYP2A6HIF1A
SCHEMBL18179858 0.72 CYP19A1 (0.46) CYP19A1CALM1AKR1B1ALDH1A1DAO
SCHEMBL10566112 0.71 MIF (0.64) MIFTRPA1CYP2E1CYP2A6HIF1A
SCHEMBL332410 0.71 MIF (0.79) MIFTRPA1CYP2E1CYP2A6HIF1A
SCHEMBL17050033 0.69 MIF (0.52) MIFTRPA1CYP2E1CYP2A6HIF1A
SCHEMBL17274310 0.69 NAAA (0.63) MIFCALM1ALDH1A1

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-20160009724-A1 TRICYCLIC TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2016-01-14 US disclosed
US-20160009724-A1 TRICYCLIC TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2016-01-14 US disclosed
US-20160009724-A1 TRICYCLIC TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP (US) 2016-01-14 US disclosed
US-9156836-B2 Tricyclic triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-10-13 US disclosed
US-9156836-B2 Tricyclic triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-10-13 US disclosed
US-9156836-B2 Tricyclic triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-10-13 US disclosed
US-20110152310-A1 TRICYCLIC TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2011-06-23 US disclosed
US-20110152310-A1 TRICYCLIC TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2011-06-23 US disclosed
US-20110152310-A1 TRICYCLIC TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2011-06-23 US disclosed
WO-2009139916-A1 TRICYCLIC TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2009-11-19 WO disclosed
WO-2009139916-A1 TRICYCLIC TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2009-11-19 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 (2 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-20160009724-A1 TRICYCLIC TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, CDC37, HSP90B1 MIF 1155/4885TRPA1 4148/4885CYP2E1 1760/4885
US-20110152310-A1 TRICYCLIC TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, CDC37, HSP90B1 MIF 1155/4885TRPA1 4148/4885CYP2E1 1760/4885

“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.