SCHEMBL1267322

SCHEMBL1267322

CC(=O)C(O)[C@H]1O[C@@H](Oc2nn(C(C)C)c(C(C)C)c2Cc2ccccc2)[C@@](O)(C(C)=O)[C@](O)(C(C)=O)[C@@]1(O)C(C)=O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 3/20 0.32
SLC5A2 P31639 3/20 0.32

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
SCHEMBL1268359 0.77 SLC5A1 (0.32) SLC5A1SLC5A2
SCHEMBL9049283 0.74
SCHEMBL9789419 0.74
SCHEMBL9049291 0.74
SCHEMBL1267454 0.74 SLC5A2 (0.43) SLC5A1SLC5A2
SCHEMBL7063823 0.72 SLC5A2 (0.51) SLC5A1SLC5A2
SCHEMBL4663151 0.70 SLC5A2 (0.37) SLC5A1SLC5A2
SCHEMBL6514723 0.70 SLC5A2 (0.38) SLC5A1SLC5A2
SCHEMBL6510862 0.70 SLC5A2 (0.43) SLC5A1SLC5A2
SCHEMBL9235203 0.70 SLC1A3 (0.32)

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-7888487-B2 Pyrazole derivative, medicinal composition containing the same, medicinal use thereof and intermediate in producing the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2011-02-15 US disclosed
US-20100029919-A1 PYRAZOLE DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF AND INTERMEDIATE IN PRODUCING THE SAME KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-02-04 US disclosed
US-20060128635-A1 Pyrazole derivative, medicinal composition containing the same, medicinal use thereof and intermediate in producing the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2006-06-15 US disclosed
EP-1550668-A1 PYRAZOLE DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF AND INTERMEDIATE IN PRODUCING THE SAME Kissei Pharmaceutical Co., Ltd. (JP) 2005-07-06 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 (2 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-20100029919-A1 PYRAZOLE DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF AND INTERMEDIATE IN PRODUCING THE SAME SLC2A3, SLC2A1, SLC5A1 SLC5A1 3/4885SLC5A2 7/4885
US-20060128635-A1 Pyrazole derivative, medicinal composition containing the same, medicinal use thereof and intermediate in producing the same SLC2A3, SLC2A1, SLC5A1 SLC5A1 3/4885SLC5A2 6/4885

“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.