SCHEMBL17536881

SCHEMBL17536881

Cc1nc2c(cc1F)SCC(=O)N2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 5/20 0.59
PDE3A Q14432 5/20 0.59
EPHX2 P34913 1/20 0.44
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
MAOB P27338 4/20 0.38
MAOA P21397 3/20 0.38
EGFR P00533 1/20 0.35
ADAMTS5 Q9UNA0 2/20 0.35
HTT P42858 2/20 0.34
LMNA P02545 1/20 0.34
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
KIF11 P52732 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
SCHEMBL15691801 0.84 PDE3B (0.62) PDE3BPDE3AEPHX2ALDH1A1MEN1
SCHEMBL14341230 0.81 PDE3B (0.59) PDE3BPDE3AEPHX2ALDH1A1MEN1
SCHEMBL4337388 0.81 PDE3B (0.59) PDE3BPDE3AEPHX2ALDH1A1MEN1
SCHEMBL21371870 0.81 PDE3B (0.46) PDE3BPDE3AEPHX2ALDH1A1MEN1
SCHEMBL3253359 0.79 PDE3B (0.44) PDE3BPDE3AEPHX2ALDH1A1MEN1
SCHEMBL3250139 0.78 PDE3B (0.46) PDE3BPDE3AEPHX2ALDH1A1MEN1
SCHEMBL13356534 0.78 PDE3B (0.43) PDE3BPDE3AEPHX2ALDH1A1MEN1
SCHEMBL3247601 0.78 PDE3B (0.46) PDE3BPDE3AEPHX2ALDH1A1MAOB
SCHEMBL3247109 0.76 ALDH1A1 (0.48) PDE3BPDE3AEPHX2ALDH1A1MEN1
SCHEMBL3272077 0.73 PDE3B (0.50) PDE3BPDE3AEPHX2ALDH1A1MEN1

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-20170304301-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-10-26 US disclosed
WO-2016027249-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-02-25 WO 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-20170304301-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS FOR TREATING NEISSERIA GONORRHOEA INFECTION NME2, NNMT, NGLY1 PDE3B 70/4885PDE3A 94/4885EPHX2 2506/4885

“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.