SCHEMBL14955980

SCHEMBL14955980

CCC1CN(Cc2cnc(-c3cc(Cl)cc4c3cnn4S(=O)(=O)c3ccccc3)o2)CC[N+]1(C)C(=O)OC

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.33
HTR6 P50406 2/20 0.31
PIK3CD O00329 1/20 0.31
PIK3R2 O00459 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31

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
SCHEMBL10280769 0.79 CNR2 (0.36) PTGDR2HTR6PIK3CDPIK3R2PIK3CA
SCHEMBL15049938 0.79 PIK3CD (0.41) HTR6PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL660444 0.79 PIK3CD (0.41) HTR6PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL657902 0.79 PIK3CD (0.41) HTR6PIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL19221842 0.78 HTR6 (0.38) HTR6PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL661574 0.77 CCNK (0.39) HTR6PIK3CA
SCHEMBL111185 0.76 PIK3CD (0.45) HTR6PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL109125 0.75 KMT2A (0.36) PTGDR2HTR6PIK3CDPIK3CAPIK3CB
SCHEMBL27933961 0.75 HTR6 (0.36) PTGDR2HTR6
SCHEMBL110755 0.75 HTR6 (0.39) HTR6

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-8586590-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-11-19 US disclosed
US-20130131080-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2013-05-23 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-20130131080-A1 Novel Compounds PIK3CD, PIK3CA, PIK3C2B PTGDR2 2486/4885HTR6 4373/4885PIK3CD 1/4885

“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.