SCHEMBL4154816

SCHEMBL4154816

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
GAA P10253 1/20 0.38
PARP1 P09874 1/20 0.36
RXFP1 Q9HBX9 1/20 0.34
MAPT P10636 9/20 0.33
LMNA P02545 7/20 0.33
THRB P10828 2/20 0.32
POLB P06746 1/20 0.32
MEN1 O00255 1/20 0.32
ADRB2 P07550 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
TP53 P04637 1/20 0.32
ALDH1A1 P00352 2/20 0.32
USP2 O75604 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL4169887 0.90 KDM4E (0.55) KDM4EGAARXFP1MAPTLMNA
SCHEMBL4165089 0.88 GAA (0.40) KDM4EGAARXFP1MAPTLMNA
SCHEMBL4157685 0.88 KDM4E (0.48) KDM4EGAARXFP1MAPTLMNA
SCHEMBL4163996 0.85 GAA (0.46) KDM4EGAARXFP1MAPTLMNA
SCHEMBL3246046 0.85 KDM4E (0.46) KDM4EPARP1RXFP1MAPTLMNA
SCHEMBL4163899 0.83 KDM4E (0.42) KDM4EGAARXFP1MAPTLMNA
SCHEMBL4160049 0.83 KDM4E (0.42) KDM4EGAARXFP1MAPTLMNA
SCHEMBL4160571 0.83 GAA (0.44) KDM4EGAARXFP1MAPTLMNA
SCHEMBL4156381 0.83 GAA (0.44) KDM4EGAARXFP1MAPTLMNA
SCHEMBL4166405 0.82 KDM4E (0.48) KDM4EGAARXFP1MAPTLMNA

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 4 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 claimed
US-20090042876-A1 Pyrroloquinoline Derivatives And Their Use As Protein Kinases Inhibitors PIERRE FABRE MEDICAMENT (FR) 2009-02-12 US claimed
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 1970/4885GAA 3035/4885PARP1 628/4885

“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.