SCHEMBL4157488

SCHEMBL4157488

CS(=O)(=O)Nc1ccccc1-c1ccc2[nH]c(=O)c3[nH]cc(CCC(=O)O)c3c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.42
CDK2 P24941 2/20 0.41
CDK1 P06493 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
METAP2 P50579 2/20 0.40
PARP14 Q460N5 1/20 0.39
PLA2G7 Q13093 3/20 0.37
NR3C1 P04150 4/20 0.37
PGR P06401 3/20 0.37
NR3C2 P08235 3/20 0.37
AR P10275 3/20 0.37
TRPV1 Q8NER1 2/20 0.35
EGFR P00533 2/20 0.35
PDGFRB P09619 2/20 0.35
FGFR1 P11362 2/20 0.35
KDR P35968 2/20 0.35
GOT1 P17174 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
CDK9 P50750 1/20 0.35

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
SCHEMBL4161892 0.85 TDP2 (0.39)
SCHEMBL3245137 0.84 MCL1 (0.53) MCL1CDK2CDK1IRAK4METAP2
SCHEMBL4159606 0.83 SPR (0.46) PARP14
SCHEMBL4160163 0.83 TRPV1 (0.41) TRPV1EGFRPDGFRBFGFR1KDR
SCHEMBL4155350 0.82 GPR17 (0.46)
SCHEMBL4165826 0.82 HPGD (0.43) EGFRPDGFRBFGFR1KDRIKBKB
SCHEMBL4153837 0.82 GPR17 (0.45) EGFRPDGFRBFGFR1KDRIKBKB
SCHEMBL4163244 0.82 S1PR1 (0.42) MCL1EGFRPDGFRBFGFR1KDR
SCHEMBL4155187 0.81 HPGD (0.38) EGFRPDGFRBFGFR1KDRIKBKB
SCHEMBL4155339 0.80 CAMKK2 (0.40) EGFRPDGFRBFGFR1KDRIKBKB

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 MCL1 823/4885CDK2 28/4885CDK1 33/4885

“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.