SCHEMBL4159469

SCHEMBL4159469

N#CCCN(C1CC1)S(=O)(=O)c1ccc2[nH]c(=O)c3[nH]cc(CCC(=O)O)c3c2c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
HPGD P15428 3/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
GLA P06280 1/20 0.36
FNTA P49354 4/20 0.35
FNTB P49356 4/20 0.35
TP53 P04637 2/20 0.32
CYP2C19 P33261 1/20 0.32
PYGL P06737 1/20 0.32
ALOX5AP P20292 2/20 0.32
FEN1 P39748 2/20 0.32
PDE4A P27815 2/20 0.31
PDE4B Q07343 2/20 0.31
PDE4C Q08493 2/20 0.31
PDE4D Q08499 2/20 0.31
RXFP1 Q9HBX9 1/20 0.30
GPR17 Q13304 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
SCHEMBL3248550 0.87 KDM4E (0.41) KDM4EHPGDALDH1A1LMNAMAPT
SCHEMBL4155240 0.85 KDM4E (0.35) KDM4EHPGDALDH1A1LMNAMAPT
SCHEMBL4166405 0.82 KDM4E (0.48) KDM4EHPGDALDH1A1LMNAMAPT
SCHEMBL3252153 0.81 KDM4E (0.39) KDM4EHPGDALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL4155231 0.80 MAPT (0.35) KDM4EHPGDALDH1A1LMNAMAPT
SCHEMBL4162591 0.80 PYGL (0.35) KDM4EHPGDALDH1A1LMNAMAPT
SCHEMBL4162942 0.80 KDM4E (0.44) KDM4EHPGDALDH1A1MAPTTP53
SCHEMBL3253881 0.80 ALDH1A1 (0.37) KDM4EHPGDALDH1A1LMNAMAPT
Propionic Acid SCHEMBL4159470 0.79 ALDH1A1 (0.38) KDM4EHPGDALDH1A1LMNAMAPT
SCHEMBL4166910 0.79 KDM4E (0.39) KDM4EHPGDALDH1A1LMNAMAPT

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 1970/4885HPGD 882/4885ALDH1A1 3830/4885

“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.