SCHEMBL2529194

SCHEMBL2529194

O=P(O)(O)C(O)(Cn1cncc1CCc1ccccc1)P(=O)(O)O

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 2/20 0.46
▸ CYP11B2 P19099 2/20 0.46
▸ FDPS P14324 16/20 0.45
▸ BTN3A1 O00481 1/20 0.43
▸ PDE3A Q14432 1/20 0.43
▸ GGPS1 O95749 2/20 0.40

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
SCHEMBL2532821 0.92 CYP11B1 (0.50) CYP11B1CYP11B2FDPSBTN3A1PDE3A
SCHEMBL1083518 0.81 FDPS (0.49) FDPSBTN3A1PDE3AGGPS1
SCHEMBL2532378 0.80 FDPS (0.44) CYP11B1CYP11B2FDPSBTN3A1GGPS1
SCHEMBL1157059 0.78 GGPS1 (0.47) CYP11B1CYP11B2FDPSBTN3A1GGPS1
SCHEMBL1028191 0.77 FDPS (0.51) FDPSBTN3A1PDE3AGGPS1
SCHEMBL1027186 0.76 FDPS (0.50) FDPSBTN3A1PDE3AGGPS1
SCHEMBL1029369 0.76 FDPS (0.50) FDPSBTN3A1PDE3AGGPS1
SCHEMBL2532831 0.72 FDPS (0.43) CYP11B1CYP11B2FDPSBTN3A1PDE3A
SCHEMBL1028197 0.71 FDPS (0.58) FDPSBTN3A1PDE3AGGPS1
SCHEMBL2536376 0.71 FDPS (0.45) FDPSBTN3A1GGPS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2382223-A1 PHENYLALKYL-IMIDAZOLE-BISPHOSPHONATE COMPOUNDS Novartis AG (CH) 2011-11-02 — — EP disclosed
US-20110257131-A1 PHENYLALKYL-IMIDAZOLE-BISPHOSPHONATE COMPOUNDS NOVARTIS AG (CH) 2011-10-20 — — US disclosed
US-20110257131-A1 PHENYLALKYL-IMIDAZOLE-BISPHOSPHONATE COMPOUNDS NOVARTIS AG (CH) 2011-10-20 — — US disclosed
US-20110257131-A1 PHENYLALKYL-IMIDAZOLE-BISPHOSPHONATE COMPOUNDS NOVARTIS AG (CH) 2011-10-20 — — US disclosed
WO-2010076258-A1 PHENYLALKYL-IMIDAZOLE-BISPHOSPHONATE COMPOUNDS NOVARTIS AG (CH) 2010-07-08 — — 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-20110257131-A1 PHENYLALKYL-IMIDAZOLE-BISPHOSPHONATE COMPOUNDS PTEN, INPP5D, PPIP5K2 CYP11B1 2146/4885CYP11B2 2431/4885FDPS 562/4885

“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.

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