SCHEMBL2201094

SCHEMBL2201094

CC(Br)CCC1CCOCC1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.35
DAO P14920 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
SCHEMBL105008 0.82 PIK3CD (0.47) PIK3CDDAO
SCHEMBL22458613 0.78 PIK3CD (0.35) PIK3CDDAO
SCHEMBL30837730 0.78 PIK3CD (0.35) PIK3CDDAO
SCHEMBL19939298 0.77 PIK3CD (0.34) PIK3CDDAO
SCHEMBL18860301 0.74 PIK3CD (0.44) PIK3CDDAO
SCHEMBL23265408 0.72 PIK3CD (0.42) PIK3CDDAO
SCHEMBL4172444 0.72 CNR2 (0.32) PIK3CD
SCHEMBL19302201 0.71 PIK3CD (0.31) PIK3CD
SCHEMBL16997066 0.70 PIK3CD (0.39) PIK3CD
SCHEMBL766688 0.70 PIK3CD (0.39) PIK3CD

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120283438-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-11-08 US disclosed
US-20110269781-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-11-03 US disclosed
US-7977344-B2 Compounds GLAXOSMITHKLINE LLC (US) 2011-07-12 US disclosed
EP-2125792-B1 PURINE DERIVATIVES AS IMMUNOMODULATORS GLAXOSMITHKLINE LLC (US) 2010-12-01 EP disclosed
US-20100120799-A1 PURINE DERIVATIVES AS IMMUNOMODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2010-05-13 US disclosed
EP-2125792-A1 PURINE DERIVATIVES AS IMMUNOMODULATORS Smithkline Beecham Corporation (US) 2009-12-02 EP disclosed
US-20090131458-A1 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-05-21 US disclosed
WO-2008101867-A1 PURINE DERIVATIVES AS IMMUNOMODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2008-08-28 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 (4 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-20120283438-A1 COMPOUNDS LTC4S, LTB4R2, LTB4R PIK3CD 1968/4885DAO 3420/4885
US-20090131458-A1 Compounds LTC4S, LTB4R2, LTB4R PIK3CD 1968/4885DAO 3420/4885
US-20100120799-A1 PURINE DERIVATIVES AS IMMUNOMODULATORS LTC4S, STING1, LTB4R2 PIK3CD 1998/4885DAO 1331/4885
US-20110269781-A1 COMPOUNDS LTC4S, LTB4R2, LTB4R PIK3CD 1968/4885DAO 3420/4885

“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.