SCHEMBL4174088

SCHEMBL4174088

CN1CCN(S(=O)(=O)c2ccc3[nH]c(=O)c4[nH]cc(CCC(=O)O)c4c3c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.53
GAA P10253 3/20 0.53
MAPT P10636 2/20 0.53
HPGD P15428 2/20 0.53
CYP2C19 P33261 1/20 0.53
HTR6 P50406 1/20 0.45
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MET P08581 1/20 0.43
KDM4E B2RXH2 6/20 0.42
POLB P06746 3/20 0.42
CYP2C9 P11712 1/20 0.42
KDR P35968 2/20 0.42
TSHR P16473 2/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FGFR1 P11362 1/20 0.42
PDGFRA P16234 1/20 0.42
FLT1 P17948 1/20 0.42

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
SCHEMBL4170125 0.92 KDM4E (0.47) HSD17B10GAAMAPTHPGDCYP2C19
SCHEMBL4160126 0.91 HSD17B10 (0.55) HSD17B10GAAMAPTHPGDCYP2C19
SCHEMBL4157677 0.89 GAA (0.53) HSD17B10GAAMAPTHPGDKMT2A
SCHEMBL4162757 0.85 CASP3 (0.37) HSD17B10GAAMAPTHPGDCYP2C19
SCHEMBL4155191 0.84 HPGD (0.42) MAPTHPGDCYP2C19KDM4EKDR
SCHEMBL3245618 0.84 HSD17B10 (0.69) HSD17B10GAAMAPTHPGDCYP2C19
SCHEMBL4154862 0.82 PKM (0.49) GAAMAPTMEN1KMT2ATSHR
SCHEMBL4162915 0.81 PDGFRB (0.46) MAPTHPGDCYP2C19KDRFGFR1
SCHEMBL4162942 0.81 KDM4E (0.44) GAAMAPTHPGDCYP2C19HTR6
SCHEMBL4160657 0.81 HTR7 (0.47) HSD17B10HPGDCYP2C19HTR6MEN1

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 HSD17B10 3847/4885GAA 3035/4885MAPT 734/4885

“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.