SCHEMBL515122

SCHEMBL515122

CSC(=S)N(c1cc(N2CCc3cc(S(C)(=O)=O)ccc32)ncn1)C1CCN(C(=O)O)CC1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 19/20 0.61
ROCK1 Q13464 1/20 0.43

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
SCHEMBL515753 0.89 GPR119 (0.78) GPR119
SCHEMBL515793 0.78 GPR119 (0.78) GPR119ROCK1
SCHEMBL299959 0.77 GPR119 (0.80) GPR119
SCHEMBL1065716 0.76 GPR119 (1.00) GPR119
SCHEMBL12933440 0.76 GPR119 (0.80) GPR119
SCHEMBL515416 0.75 GPR119 (0.75) GPR119
SCHEMBL15095239 0.75 GPR119 (1.00) GPR119
SCHEMBL15095238 0.74 GPR119 (0.87) GPR119
SCHEMBL10255383 0.74 GPR119 (0.84) GPR119
SCHEMBL15095237 0.74 GPR119 (0.83) GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410089-B2 Fused heterocyclic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-04-02 US disclosed
US-20120028962-A1 FUSED HETEROCYCLIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-02 US disclosed
EP-2399914-A1 FUSED HETEROCYCLIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-12-28 EP 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-20120028962-A1 FUSED HETEROCYCLIC RING COMPOUND GPR119, GPR4, GPR84 GPR119 1/4885ROCK1 2566/4885

“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.