SCHEMBL4157963

SCHEMBL4157963

CN(c1ccc2[nH]c(=O)c3[nH]cc(CCC(=O)O)c3c2c1)S(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.38
CYP2C19 P33261 1/20 0.38
GPR17 Q13304 1/20 0.36
APEX1 P27695 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MPO P05164 1/20 0.33
SLC6A4 P31645 1/20 0.33
EGFR P00533 1/20 0.32
PARP1 P09874 1/20 0.32
PDGFRB P09619 1/20 0.32
FGFR1 P11362 1/20 0.32
KDR P35968 1/20 0.32
GRIN1 Q05586 3/20 0.32
TP53 P04637 2/20 0.32
HSD17B10 Q99714 2/20 0.32
NPC1 O15118 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TBXAS1 P24557 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
SCHEMBL4162442 0.89 HPGD (0.42) HPGDCYP2C19GPR17APEX1KDM4E
SCHEMBL4162711 0.89 PTGDR2 (0.38) HPGDCYP2C19GPR17KDM4EHSD17B10
SCHEMBL4162942 0.83 KDM4E (0.44) HPGDCYP2C19GPR17KDM4EPDGFRB
SCHEMBL4166925 0.83 USP2 (0.45) HPGDCYP2C19KDM4EHSD17B10ALDH1A1
SCHEMBL4156375 0.82 HSD17B10 (0.54) HPGDKDM4ETP53HSD17B10HTT
SCHEMBL3242531 0.82 HSD17B10 (0.42) HPGDCYP2C19KDM4EHSD17B10ALDH1A1
SCHEMBL4159606 0.81 SPR (0.46) HPGDCYP2C19GPR17APEX1KDM4E
SCHEMBL4170111 0.80 HPGD (0.42) HPGDCYP2C19GPR17KDM4EHSD17B10
SCHEMBL4155191 0.80 HPGD (0.42) HPGDCYP2C19GPR17APEX1KDM4E
SCHEMBL4155187 0.80 HPGD (0.38) HPGDCYP2C19GPR17APEX1KDM4E

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 HPGD 882/4885CYP2C19 4277/4885GPR17 2461/4885

“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.