SCHEMBL2292695

SCHEMBL2292695

Cc1c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)ccc(C(=O)O)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
MT-CO2 P00403 1/20 0.32
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32
PDK4 Q16654 1/20 0.32
STAT5B P51692 1/20 0.31
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
CSNK2A1 P68400 1/20 0.31
MYC P01106 2/20 0.31
NR4A1 P22736 1/20 0.31
CASP1 P29466 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SYK P43405 1/20 0.30
RXRB P28702 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
SCHEMBL28320608 0.83 STAT5B (0.31) STAT5BRXRB
SCHEMBL21079102 0.75 MT-CO2 (0.32) MT-CO2
SCHEMBL16529276 0.74 CA12 (0.43) TSHRMYC
SCHEMBL18091563 0.73 MRGPRX4 (0.32) MYCNR4A1
SCHEMBL29534046 0.73 GRM6 (0.34) MT-CO2
SCHEMBL20045664 0.73 GRM6 (0.34) MT-CO2
SCHEMBL28612868 0.72 PTPRC (0.38) SYK
SCHEMBL29932470 0.72 MRGPRX4 (0.35) PDK1PDK2PDK3PDK4
SCHEMBL15390646 0.70 KDM4E (0.40) MT-CO2
SCHEMBL30239933 0.70 TSHR (0.45) TSHRMT-CO2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309554-B2 Hypoxia activated drugs of nitrogen mustard alkylators THRESHOLD PHARMACEUTICALS (US) 2012-11-13 US disclosed
US-20110190310-A1 Hypoxia Activated Drugs Of Nitrogen Mustard Alkylators THRESHOLD PHARMACEUTICALS, INC. 2011-08-04 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 (1 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-20110190310-A1 Hypoxia Activated Drugs Of Nitrogen Mustard Alkylators HIF1AN, HIF1A, HYOU1 TSHR 2797/4885MT-CO2 1218/4885PDK1 316/4885

“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.