SCHEMBL13865819

SCHEMBL13865819

COc1ccc(S(=O)(=O)N2CCCC(c3nc4c(c(C)nn4C4CCCCC4)c(=O)[nH]3)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
TSHR P16473 2/20 0.46
MAPT P10636 1/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 2/20 0.46
ALDH1A1 P00352 7/20 0.45
USP2 O75604 4/20 0.45
HPGD P15428 4/20 0.45
MAPK1 P28482 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
HSD17B10 Q99714 1/20 0.45
KHK P50053 1/20 0.44
SCN9A Q15858 1/20 0.44
HTT P42858 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
THRB P10828 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
SCHEMBL13865852 0.97 POLB (0.47) POLBTSHRMAPTKDM4EGAA
SCHEMBL13865888 0.91 POLB (0.55) POLBTSHRMAPTGAAALDH1A1
SCHEMBL13865924 0.90 MAPT (0.56) POLBTSHRMAPTALDH1A1USP2
SCHEMBL13865935 0.85 POLB (0.49) POLBTSHRMAPTGAAALDH1A1
SCHEMBL13865871 0.85 KHK (0.61) POLBTSHRMAPTALDH1A1USP2
SCHEMBL13865813 0.84 PDE9A (0.58) TSHR
SCHEMBL13865911 0.83 TP53 (0.50) POLBTSHRMAPTALDH1A1USP2
SCHEMBL13865865 0.83 HPGD (0.54) TSHRALDH1A1HPGDMAPK1KHK
SCHEMBL13865768 0.83 KHK (0.46) POLBTSHRMAPTKDM4EALDH1A1
SCHEMBL13865926 0.81 TP53 (0.48) POLBTSHRMAPTALDH1A1USP2

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-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 US disclosed
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 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-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases PDE4A, PDE7B, PDE4B POLB 701/4885TSHR 4657/4885MAPT 4149/4885

“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.