SCHEMBL2542841

SCHEMBL2542841

Cc1nc(S(C)(=O)=O)ccc1Nc1ncnc(OC2CCN(C(=O)O)CC2)c1C

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 20/20 0.80
CYP2C9 P11712 3/20 0.80
KCNH2 Q12809 1/20 0.66

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
SCHEMBL3257093 0.92 GPR119 (0.80) GPR119CYP2C9KCNH2
SCHEMBL2372630 0.90 GPR119 (0.81) GPR119CYP2C9KCNH2
SCHEMBL1712505 0.89 GPR119 (1.00) GPR119CYP2C9KCNH2
SCHEMBL5821469 0.89 GPR119 (0.81) GPR119CYP2C9KCNH2
SCHEMBL5133272 0.86 GPR119 (0.60) GPR119CYP2C9KCNH2
SCHEMBL1071583 0.82 GPR119 (0.69) GPR119CYP2C9KCNH2
SCHEMBL390024 0.81 GPR119 (1.00) GPR119CYP2C9KCNH2
SCHEMBL12241590 0.81 GPR119 (0.67) GPR119CYP2C9KCNH2
SCHEMBL12241593 0.81 GPR119 (0.85) GPR119CYP2C9KCNH2
SCHEMBL389831 0.80 GPR119 (1.00) GPR119CYP2C9KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263617-A1 Combination therapy for the treatment of diabetes and related conditions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US claimed
EP-2547339-A1 COMBINATION OF A GPR119 AGONIST AND THE DPP-IV INHIBITOR LINAGLIPTIN FOR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS Boehringer Ingelheim International GmbH (DE) 2013-01-23 EP disclosed
EP-2049523-A1 MODULATORS OF METABOLISM AND THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2009-04-22 EP disclosed
WO-2008005576-A1 MODULATORS OF METABOLISM AND THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2008-01-10 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 (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-20110263617-A1 Combination therapy for the treatment of diabetes and related conditions GPR119, DPP4, GLP1R GPR119 1/4885CYP2C9 2459/4885KCNH2 3926/4885

“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.