SCHEMBL1027186

SCHEMBL1027186

CCc1cncn1CC(O)(P(=O)(O)O)P(=O)(O)O.[Zn]

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 16/20 0.50
▸ GGPS1 O95749 4/20 0.42
▸ BTN3A1 O00481 2/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MMP2 P08253 1/20 0.42
▸ MMP9 P14780 1/20 0.42
▸ MMP8 P22894 1/20 0.42
▸ MMP14 P50281 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ PDE3A Q14432 1/20 0.35

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
SCHEMBL1028191 0.98 FDPS (0.51) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL1029369 0.97 FDPS (0.50) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL1029368 0.89 FDPS (0.43) FDPSGGPS1BTN3A1CA12CA2
Zinc Ion SCHEMBL1027185 0.89 FDPS (0.43) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL1083518 0.87 FDPS (0.49) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL1157059 0.84 GGPS1 (0.47) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL27826398 0.80 FDPS (0.34) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL1028197 0.80 FDPS (0.58) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL1157279 0.77 FDPS (0.48) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL2529194 0.76 CYP11B1 (0.46) FDPSGGPS1BTN3A1PDE3A

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
US-20110034418-A1 PHARMACEUTICAL COMPOSITION WITH BISPHOSPHONATE NOVARTIS AG (CH) 2011-02-10 — — US disclosed
EP-2273980-A2 PHARMACEUTICAL COMPOSITION WITH BISPHOSPHONATE Novartis AG (CH) 2011-01-19 — — EP disclosed
WO-2009121935-A2 PHARMACEUTICAL COMPOSITION WITH BISPHOSPHONATE NOVARTIS AG (CH) 2009-10-08 — — 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-20110034418-A1 PHARMACEUTICAL COMPOSITION WITH BISPHOSPHONATE SOST, SLC20A1, SLC34A1 FDPS 390/4885GGPS1 159/4885BTN3A1 2781/4885

“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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