SCHEMBL2910138

SCHEMBL2910138

COc1ccc(-n2nc(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2-c2cc(S(C)(=O)=O)ccn2)cn1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 16/20 0.49
CFTR P13569 1/20 0.44
PTGS2 P35354 2/20 0.39
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL2917656 0.90 PTGS2 (0.41) GPR119CFTRPTGS2
SCHEMBL2915269 0.89 CHRNA7 (0.42) PTGS2
SCHEMBL2910906 0.88 CFTR (0.45) GPR119CFTRTDP1
SCHEMBL13637531 0.88 CFTR (0.46) GPR119CFTRTDP1
SCHEMBL2910500 0.86 CFTR (0.45) GPR119CFTRTDP1
SCHEMBL2912277 0.86 CFTR (0.47) GPR119CFTRTDP1
SCHEMBL2912074 0.85 CFTR (0.44) GPR119CFTRPTGS2TDP1
SCHEMBL2915275 0.81 MGLL (0.49) GPR119CFTRPTGS2
SCHEMBL2912283 0.80 CFTR (0.48) GPR119CFTRPTGS2
SCHEMBL2911608 0.79 MGLL (0.46) CFTRPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1591443-B1 PYRAZOLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-08-25 EP disclosed
US-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 US disclosed
US-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 US disclosed
US-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 US disclosed
US-20060128685-A1 Pyrazole derivative DAIICHI PHARMACEUTICAL CO., LTD., (JP) 2006-06-15 US disclosed
EP-1591443-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-02 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-20060128685-A1 Pyrazole derivative PTGS1, PTGS2, PTGER1 GPR119 1490/4885CFTR 1992/4885PTGS2 2/4885

“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.