SCHEMBL4160571

SCHEMBL4160571

CSCCN(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
ALDH1A1 P00352 5/20 0.35
HPGD P15428 4/20 0.35
MAPT P10636 3/20 0.35
LMNA P02545 2/20 0.35
HSD17B10 Q99714 2/20 0.34
USP2 O75604 1/20 0.34
GLA P06280 1/20 0.34
RXFP1 Q9HBX9 2/20 0.33
MEN1 O00255 1/20 0.33
ADRB2 P07550 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR7 P34969 1/20 0.32
HTR5A P47898 1/20 0.32
HTR6 P50406 1/20 0.32
TP53 P04637 2/20 0.32
SLC6A4 P31645 1/20 0.31
RAB9A P51151 1/20 0.31

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 0.91 GAA (0.46) GAAKDM4EALDH1A1HPGDMAPT
SCHEMBL4169887 0.89 KDM4E (0.55) GAAKDM4EALDH1A1HPGDMAPT
SCHEMBL4156381 0.88 GAA (0.44) GAAKDM4EALDH1A1HPGDMAPT
SCHEMBL4157685 0.88 KDM4E (0.48) GAAKDM4EALDH1A1HPGDMAPT
Hydrochloric Acid SCHEMBL4164011 0.87 GAA (0.43) GAAKDM4EALDH1A1HPGDMAPT
SCHEMBL4166405 0.87 KDM4E (0.48) GAAKDM4EALDH1A1HPGDMAPT
SCHEMBL4160049 0.85 KDM4E (0.42) GAAKDM4EALDH1A1HPGDMAPT
SCHEMBL4163899 0.85 KDM4E (0.42) GAAKDM4EALDH1A1HPGDMAPT
SCHEMBL4163293 0.85 GAA (0.41) GAAKDM4EALDH1A1HPGDMAPT
SCHEMBL3251033 0.84 KDM4E (0.43) GAAKDM4EALDH1A1HPGDMAPT

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 1970/4885ALDH1A1 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.