SCHEMBL14729102

SCHEMBL14729102

CCCS(=O)(=O)N1CCC(Oc2nc3ccc(-c4ccc(S(C)(=O)=O)cc4)cc3s2)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.43
IKBKB O14920 3/20 0.40
CHUK O15111 2/20 0.40
GPR119 Q8TDV5 4/20 0.38
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PI4KA P42356 1/20 0.37
PIK3CG P48736 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
PTGS1 P23219 5/20 0.37
CLK1 P49759 1/20 0.37
NAMPT P43490 1/20 0.36

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
SCHEMBL14729103 0.88 PIK3CD (0.41) GPR119PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL14729098 0.86 PIK3CD (0.40) GPR119PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL14729095 0.83 GPR119 (0.48) GPR119PIK3CDCLK1
SCHEMBL14728890 0.83 GPR119 (0.52) CHRM2GPR119
SCHEMBL2591259 0.82 GPR119 (0.43) GPR119PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL14729100 0.82 IKBKB (0.44) IKBKBGPR119PIK3CDPIK3CAPIK3CB
SCHEMBL14728903 0.82 GPR119 (0.49) CHRM2GPR119NAMPT
SCHEMBL14729198 0.81 GPR119 (0.40) GPR119PIK3CDCLK1
SCHEMBL14729077 0.81 GPR119 (0.58) GPR119
SCHEMBL14729093 0.81 GPR119 (0.47) GPR119CLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940716-B2 Bicyclic heteroaryl compounds as GPR119 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-27 US disclosed
US-8940716-B2 Bicyclic heteroaryl compounds as GPR119 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-27 US disclosed
EP-2566860-B1 BICYCLIC HETEROARYL COMPOUNDS AS GPR119 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2014-09-10 EP disclosed
US-20130053345-A1 BICYCLIC HETEROARLY ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2013-02-28 US disclosed
US-20130053345-A1 BICYCLIC HETEROARLY ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2013-02-28 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-20130053345-A1 BICYCLIC HETEROARLY ANALOGUES AS GPR119 MODULATORS GPR119, GPR139, GPR4 CHRM2 184/4885IKBKB 2127/4885CHUK 1020/4885

“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.