SCHEMBL4159322

SCHEMBL4159322

CC(C)(C)OC(=O)N1CCC(NS(=O)(=O)c2ccc3[nH]c(=O)c4[nH]cc(C(=O)O)c4c3c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 2/20 0.43
SFRP1 Q8N474 5/20 0.43
BRD4 O60885 2/20 0.43
PARG Q86W56 1/20 0.42
STS P08842 3/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
EPHX2 P34913 1/20 0.39
ALDH1A1 P00352 1/20 0.39
WNT3 P56703 1/20 0.39

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
SCHEMBL3251568 0.87 PARG (0.48) PARGKDM4EMEN1POLBCYP2C9
SCHEMBL3255657 0.86 PARG (0.38) CCR8SFRP1BRD4PARGKDM4E
SCHEMBL3255653 0.86 PARG (0.38) CCR8SFRP1BRD4PARGKDM4E
SCHEMBL3243012 0.85 PARG (0.56) BRD4PARGKDM4EMEN1POLB
SCHEMBL3242536 0.84 TDP1 (0.53) PARGKDM4EPOLBTDP1ALDH1A1
SCHEMBL3248538 0.83 TDP1 (0.54) PARGKDM4EMEN1POLBKMT2A
SCHEMBL3249968 0.83 TDP1 (0.54) PARGKDM4EMEN1POLBKMT2A
SCHEMBL3245470 0.82 PARG (0.50) CCR8SFRP1PARGKDM4EMEN1
SCHEMBL3242728 0.80 KDM4E (0.45) BRD4KDM4EMEN1POLBCYP2C9
SCHEMBL3242979 0.80 KDM4E (0.45) BRD4KDM4EMEN1POLBCYP2C9

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 CCR8 2915/4885SFRP1 3736/4885BRD4 545/4885

“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.