SCHEMBL4157940

SCHEMBL4157940

CC(C(=O)OC(C)(C)C)N1CCC(NS(=O)(=O)c2ccc3[nH]c(=O)c4[nH]cc(CCCC(=O)O)c4c3c2)C1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARG Q86W56 1/20 0.34
PTGDR Q13258 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
BRD4 O60885 1/20 0.31
BRAF P15056 1/20 0.31
ENPP2 Q13822 2/20 0.31
ATXN2 Q99700 2/20 0.31
PARP1 P09874 1/20 0.31
SFRP1 Q8N474 1/20 0.31
CCR8 P51685 1/20 0.30
TSHR P16473 1/20 0.30
CNR1 P21554 1/20 0.30
HRH1 P35367 1/20 0.30
CCR3 P51677 1/20 0.30
KCNH2 Q12809 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
SCHEMBL3255657 0.87 PARG (0.38) PARGTDP1BRD4BRAFSFRP1
SCHEMBL3255653 0.87 PARG (0.38) PARGTDP1BRD4BRAFSFRP1
Butyric Acid SCHEMBL4157941 0.84 PARG (0.38) PARGPTGDRTDP1BRD4BRAF
SCHEMBL4161246 0.82 PARG (0.50) PARGPTGDRTDP1BRD4BRAF
SCHEMBL4717788 0.82 PARG (0.42) PARGTDP1BRD4BRAFPARP1
SCHEMBL4161880 0.80 BRD4 (0.43) BRD4
SCHEMBL4164931 0.80 PARG (0.45) PARGPTGDRTDP1BRAFENPP2
SCHEMBL4153573 0.78 PARG (0.52) PARGPTGDRTDP1BRD4BRAF
SCHEMBL4165046 0.78 PARG (0.44) PARGPTGDRTDP1BRAFENPP2
SCHEMBL4163004 0.77 PARG (0.43) PARGPTGDRTDP1BRAFENPP2

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 PARG 3507/4885PTGDR 861/4885TDP1 1098/4885

“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.