SCHEMBL4159975

SCHEMBL4159975

CN(C(=O)OC(C)(C)C)C(C)(C)CN(C1CC1)S(=O)(=O)c1ccc2[nH]c(=O)c3[nH]cc(CCCC(=O)O)c3c2c1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
ESR2 Q92731 3/20 0.30
ESR1 P03372 1/20 0.30
GAA P10253 1/20 0.30
MEN1 O00255 1/20 0.30
ADRB2 P07550 1/20 0.30
RECQL P46063 1/20 0.30
KMT2A Q03164 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 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
SCHEMBL4166441 0.88 KDM4E (0.32) KDM4EGAALMNATP53MAPT
SCHEMBL3255223 0.87 KDM4E (0.37) KDM4EESR2ESR1GAAMEN1
Hydrochloric Acid SCHEMBL4155353 0.85 KDM4E (0.34) KDM4EESR2ESR1GAALMNA
SCHEMBL4153570 0.84 SCN9A (0.32) KDM4ELMNATP53MAPT
Butyric Acid SCHEMBL4159977 0.83 KDM4E (0.35) KDM4EESR2ESR1MEN1ADRB2
SCHEMBL4166910 0.83 KDM4E (0.39) KDM4EGAAMEN1ADRB2RECQL
SCHEMBL4155240 0.82 KDM4E (0.35) KDM4EGAALMNATP53MAPT
SCHEMBL4163711 0.82 PARP1 (0.33)
SCHEMBL4165089 0.82 GAA (0.40) KDM4EGAAMEN1ADRB2RECQL
SCHEMBL4154816 0.81 KDM4E (0.44) KDM4EGAAMEN1ADRB2RECQL

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-8426437-B2 Pyrroloquinoline derivatives and their use as protein kinases inhibitors PIERRE FABRE MEDICAMENT (FR) 2013-04-23 US disclosed
US-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors PIERRE FABRE MEDICAMENT (FR) 2009-02-12 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-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors MAP3K1, MAP3K2, MAP3K7 KDM4E 1970/4885ESR2 1588/4885ESR1 2823/4885

“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.