SCHEMBL13865802

SCHEMBL13865802

COc1ccc(S(=O)(=O)N2CCCC(c3nc4c(cnn4-c4ccccc4)c(=O)[nH]3)C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
HPGD P15428 5/20 0.50
USP2 O75604 4/20 0.50
MAPK1 P28482 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
HSD17B10 Q99714 1/20 0.50
TSHR P16473 2/20 0.49
MAPT P10636 1/20 0.49
TYK2 P29597 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HTT P42858 2/20 0.47
SCN9A Q15858 1/20 0.47
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.46
PDE9A O76083 1/20 0.44
POLB P06746 2/20 0.44
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TP53 P04637 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
SCHEMBL4513638 0.90 TYK2 (0.47) ALDH1A1HPGDUSP2MAPK1NPSR1
SCHEMBL13865813 0.85 PDE9A (0.58) TSHRPDE9A
SCHEMBL13865871 0.85 KHK (0.61) ALDH1A1HPGDUSP2MAPK1NPSR1
SCHEMBL13865863 0.77 PDE9A (0.57) MAPTPDE9A
SCHEMBL13865845 0.77 HPGD (0.54) ALDH1A1HPGDMAPK1NPSR1TSHR
SCHEMBL4504690 0.76 TYK2 (0.49) ALDH1A1HPGDUSP2MAPK1HSD17B10
SCHEMBL13865839 0.76 TYK2 (0.52) ALDH1A1HPGDUSP2MAPK1NPSR1
SCHEMBL4514570 0.76 PDE9A (0.61) ALDH1A1HSD17B10TSHRTYK2MEN1
SCHEMBL4516124 0.75 TYK2 (0.54) ALDH1A1HPGDUSP2MAPK1NPSR1
SCHEMBL13865830 0.75 PDE9A (0.57) MEN1KMT2APDE9A

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 ALDH1A1 240/4885HPGD 132/4885USP2 970/4885

“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.