SCHEMBL304382

SCHEMBL304382

CS(=O)(=O)c1ccc(Oc2nccc(NC3CCN(C(=O)O)CC3)c2[N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 14/20 0.47
CYP3A4 P08684 1/20 0.40
PTK2 Q05397 1/20 0.36
NPY2R P49146 1/20 0.36
GCK P35557 1/20 0.35
PRKAA2 P54646 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35

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
SCHEMBL304381 1.00 GPR119 (0.47) GPR119CYP3A4PTK2NPY2RGCK
SCHEMBL9972354 0.89 CYP3A4 (0.53) GPR119CYP3A4
SCHEMBL304122 0.86 CYP3A4 (0.41) GPR119CYP3A4PTK2NPY2RGCK
SCHEMBL10137677 0.79 ALDH1A1 (0.48) GPR119CYP3A4NOS3NOS1NOS2
SCHEMBL304702 0.76 HCAR3 (0.39) NOS3NOS1NOS2
SCHEMBL304703 0.76 HCAR3 (0.39) NOS3NOS1NOS2
SCHEMBL10137676 0.75 CYP3A4 (0.55) GPR119CYP3A4
SCHEMBL10151267 0.74 ALDH1A1 (0.45) GPR119CYP3A4
SCHEMBL4440170 0.73 HCAR3 (0.54)
SCHEMBL4440176 0.73 HCAR3 (0.54)

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-8476283-B2 [6,5]—bicyclic GPR119 G protein-coupled receptor agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-02 US disclosed
EP-2152707-B1 [6,5]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL MYERS SQUIBB CO (US) 2012-06-20 EP disclosed
US-20120077826-A1 [6,5] - BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2012-03-29 US disclosed
US-8093257-B2 [6,5]-bicyclic GPR119 G protein-coupled receptor agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-10 US disclosed
US-20090018055-A1 [6,5]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2009-01-15 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 (2 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-20090018055-A1 [6,5]-BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR139, GPR4 GPR119 1/4885CYP3A4 1283/4885PTK2 3076/4885
US-20120077826-A1 [6,5] - BICYCLIC GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR139, GPR4 GPR119 1/4885CYP3A4 1283/4885PTK2 3076/4885

“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.