SCHEMBL2875418

SCHEMBL2875418

CC(C)(C)OC(=O)n1c(-c2ncccc2[N+](=O)[O-])cc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 19/20 0.51
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49
NR1H3 Q13133 3/20 0.48

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
SCHEMBL1897505 0.79 NR1H2 (0.55) NR1H2CA12CA9NR1H3
SCHEMBL30619487 0.78 NR1H2 (0.64) NR1H2CA12CA9NR1H3
SCHEMBL2872754 0.77 ALDH1A1 (0.46)
SCHEMBL5635574 0.77 NR1H2 (0.67) NR1H2CA12CA9NR1H3
SCHEMBL4565579 0.76 NR1H2 (0.52) NR1H2CA12CA9NR1H3
SCHEMBL17827647 0.75 NR1H2 (0.47) NR1H2CA12CA9NR1H3
SCHEMBL28578718 0.74 NR1H2 (0.69) NR1H2CA12CA9NR1H3
SCHEMBL9846756 0.74 NR1H2 (0.48) NR1H2CA12CA9NR1H3
SCHEMBL14367891 0.73 NR1H2 (0.75) NR1H2NR1H3
SCHEMBL21247054 0.73 NR1H2 (0.64) NR1H2NR1H3

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
EP-1899299-B1 C-LINKED CYCLIC ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2010-10-20 EP disclosed
US-7700620-B2 C-linked cyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-20 US disclosed
US-20060293336-A1 C-linked cyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-28 US 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-20060293336-A1 C-linked cyclic antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions P2RY11, P2RY1, P2RY13 NR1H2 2560/4885CA12 3811/4885CA9 3806/4885

“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.