SCHEMBL2915550

SCHEMBL2915550

COc1ccc(-n2nc(COS(C)(=O)=O)cc2-c2ccccc2)cn1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.57
PTGS1 P23219 7/20 0.57
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALOX5 P09917 3/20 0.46
SLC16A3 O15427 2/20 0.44
SLC16A1 P53985 2/20 0.44
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA9 Q16790 3/20 0.43
MCTS1 Q9ULC4 1/20 0.42

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
SCHEMBL4476914 0.95 PTGS2 (0.57) PTGS2PTGS1MEN1KMT2ASLC16A3
SCHEMBL13239862 0.84 PTGS2 (0.58) PTGS2PTGS1ALOX5SLC16A3SLC16A1
SCHEMBL4477596 0.82 PTGS2 (0.57) PTGS2PTGS1MEN1KMT2ASLC16A3
SCHEMBL4476916 0.81 PTGS2 (0.46) PTGS2PTGS1MEN1KMT2AALOX5
SCHEMBL2917637 0.78 MEN1 (0.46) PTGS2PTGS1MEN1KMT2AALOX5
SCHEMBL6411227 0.77 PTGS2 (0.52) PTGS2PTGS1MEN1KMT2ACA1
SCHEMBL13637334 0.75 MEN1 (0.52) PTGS2PTGS1MEN1KMT2AALOX5
SCHEMBL2910437 0.75 RPA1 (0.70) MEN1KMT2A
SCHEMBL2920938 0.75 MEN1 (0.43) PTGS2PTGS1MEN1KMT2AALOX5
SCHEMBL2911589 0.75 MEN1 (0.43) PTGS2PTGS1MEN1KMT2AALOX5

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 7 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
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 PTGS2 2/4885PTGS1 1/4885MEN1 4127/4885

“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.