SCHEMBL4156381

SCHEMBL4156381

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
KDM4E B2RXH2 7/20 0.42
HPGD P15428 5/20 0.37
ALDH1A1 P00352 4/20 0.37
HSD17B10 Q99714 2/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
GLA P06280 1/20 0.37
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
ADRB2 P07550 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR6 P50406 3/20 0.35
BRAF P15056 1/20 0.34
MPO P05164 2/20 0.34

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
SCHEMBL4163996 0.92 GAA (0.46) GAAKDM4EHPGDALDH1A1HSD17B10
SCHEMBL4169887 0.89 KDM4E (0.55) GAAKDM4EHPGDALDH1A1HSD17B10
SCHEMBL4160571 0.88 GAA (0.44) GAAKDM4EHPGDALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL4164011 0.87 GAA (0.43) GAAKDM4EHPGDALDH1A1HSD17B10
SCHEMBL4166405 0.87 KDM4E (0.48) GAAKDM4EHPGDALDH1A1HSD17B10
SCHEMBL4157685 0.86 KDM4E (0.48) GAAKDM4EHPGDALDH1A1HSD17B10
SCHEMBL4165089 0.86 GAA (0.40) GAAKDM4EHPGDALDH1A1HSD17B10
SCHEMBL4160049 0.85 KDM4E (0.42) GAAKDM4EHPGDALDH1A1HSD17B10
SCHEMBL4163899 0.85 KDM4E (0.42) GAAKDM4EHPGDALDH1A1HSD17B10
SCHEMBL4163293 0.85 GAA (0.41) GAAKDM4EHPGDALDH1A1HSD17B10

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 GAA 3035/4885KDM4E 1970/4885HPGD 882/4885

“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.