SCHEMBL4157860

SCHEMBL4157860

CN(C1CCOCC1)S(=O)(=O)c1ccc2[nH]c(=O)c3[nH]cc(CCCC(=O)O)c3c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
KDM4E B2RXH2 6/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 5/20 0.35
HPGD P15428 5/20 0.35
HSD17B10 Q99714 3/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GAA P10253 3/20 0.34
LMNA P02545 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
RORC P51449 1/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
NPC1 O15118 1/20 0.33
USP2 O75604 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL4166910 0.94 KDM4E (0.39) MAPTHTR1DHTR1BKDM4EMEN1
SCHEMBL4159472 0.91 HTR1D (0.37) MAPTHTR1DHTR1BKDM4EMEN1
SCHEMBL4159582 0.85 KDM4E (0.41) MAPTHTR1DHTR1BKDM4EMEN1
SCHEMBL3248642 0.84 GAA (0.43) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL4159935 0.83 HTR1D (0.36) MAPTHTR1DHTR1BKDM4EMEN1
SCHEMBL4169887 0.83 KDM4E (0.55) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL4153781 0.82 KDM4E (0.32) MAPTKDM4EGAALMNATP53
SCHEMBL4155240 0.82 KDM4E (0.35) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL4163996 0.81 GAA (0.46) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL4157685 0.81 KDM4E (0.48) MAPTKDM4EMEN1KMT2AALDH1A1

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 MAPT 734/4885HTR1D 4632/4885HTR1B 4141/4885

“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.