SCHEMBL4356756

SCHEMBL4356756

C[S+]([O-])c1ccc(Oc2ncnc3c2cnn3C2CCN(C(=O)O)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.61
FLT3 P36888 4/20 0.40
CYP2C9 P11712 1/20 0.39
NR3C1 P04150 1/20 0.36
BRAF P15056 1/20 0.36
GPR119 Q8TDV5 6/20 0.36
BTK Q06187 3/20 0.36
EGFR P00533 2/20 0.36
ABL1 P00519 1/20 0.35
BCR P11274 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
SCHEMBL1128574 0.89 CYP3A4 (0.77) CYP3A4CYP2C9NR3C1GPR119
SCHEMBL4352334 0.88 CYP3A4 (0.62) CYP3A4FLT3CYP2C9BTK
SCHEMBL1128417 0.87 CYP3A4 (0.60) CYP3A4FLT3CYP2C9BTKEGFR
SCHEMBL2019784 0.87 CYP3A4 (0.79) CYP3A4CYP2C9GPR119
SCHEMBL4360972 0.87 CYP3A4 (0.60) CYP3A4FLT3CYP2C9NR3C1BRAF
SCHEMBL4355637 0.87 CYP3A4 (0.60) CYP3A4FLT3CYP2C9GPR119BTK
SCHEMBL4354583 0.86 CYP3A4 (0.60) CYP3A4FLT3CYP2C9BRAFBTK
SCHEMBL4359837 0.85 CYP3A4 (0.66) CYP3A4FLT3CYP2C9GPR119BTK
SCHEMBL4358437 0.85 CYP3A4 (0.59) CYP3A4FLT3CYP2C9NR3C1BRAF
SCHEMBL4353817 0.85 CYP3A4 (0.58) CYP3A4FLT3CYP2C9BTKEGFR

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-8188098-B2 GPR119 receptor agonists HOFFMANN-LA ROCHE INC. (US) 2012-05-29 US disclosed
US-20090286812-A1 GPR119 Receptor Agonists ERICKSON SHAWN DAVID 2009-11-19 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-20090286812-A1 GPR119 Receptor Agonists GPR119, GPR27, GPR139 CYP3A4 1503/4885FLT3 2186/4885CYP2C9 917/4885

“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.