SCHEMBL1157059

SCHEMBL1157059

CCCCc1cncn1CC(O)(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GGPS1 O95749 10/20 0.47
▸ FDPS P14324 14/20 0.47
▸ BTN3A1 O00481 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MMP2 P08253 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ MMP8 P22894 1/20 0.39
▸ MMP14 P50281 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36

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
SCHEMBL1083518 0.92 FDPS (0.49) GGPS1FDPSBTN3A1CA12CA2
SCHEMBL1028191 0.85 FDPS (0.51) GGPS1FDPSBTN3A1CA12CA2
SCHEMBL1027186 0.84 FDPS (0.50) GGPS1FDPSBTN3A1CA12CA2
SCHEMBL1029369 0.84 FDPS (0.50) GGPS1FDPSBTN3A1CA12CA2
SCHEMBL2532378 0.82 FDPS (0.44) GGPS1FDPSBTN3A1CA12CA2
SCHEMBL2532821 0.82 CYP11B1 (0.50) GGPS1FDPSBTN3A1CYP11B1CYP11B2
SCHEMBL2529194 0.78 CYP11B1 (0.46) GGPS1FDPSBTN3A1CYP11B1CYP11B2
SCHEMBL1029368 0.77 FDPS (0.43) GGPS1FDPSBTN3A1CA12CA2
Zinc Ion SCHEMBL1027185 0.77 FDPS (0.43) GGPS1FDPSBTN3A1CA12CA2
SCHEMBL1028197 0.76 FDPS (0.58) GGPS1FDPSBTN3A1CA12CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2225252-B1 C2-C5-ALKYL-IMIDAZOLE-BISPHOSPHONATES NOVARTIS AG (CH) 2012-06-27 — — EP disclosed
EP-2225252-B1 C2-C5-ALKYL-IMIDAZOLE-BISPHOSPHONATES NOVARTIS AG (CH) 2012-06-27 — — EP disclosed
US-20110224173-A1 C2-C5-Alkyl-Imidazole-Bisphosphonates NOVARTIS AG (CH) 2011-09-15 — — US disclosed
US-20110224173-A1 C2-C5-Alkyl-Imidazole-Bisphosphonates NOVARTIS AG (CH) 2011-09-15 — — US disclosed
US-20110224173-A1 C2-C5-Alkyl-Imidazole-Bisphosphonates NOVARTIS AG (CH) 2011-09-15 — — US disclosed
US-7977323-B2 C2-C5-alkyl-imidazole-bisphosphonates NOVARTIS AG (CH) 2011-07-12 — — US disclosed
US-7977323-B2 C2-C5-alkyl-imidazole-bisphosphonates NOVARTIS AG (CH) 2011-07-12 — — US disclosed
US-7977323-B2 C2-C5-alkyl-imidazole-bisphosphonates NOVARTIS AG (CH) 2011-07-12 — — US disclosed
US-20110034418-A1 PHARMACEUTICAL COMPOSITION WITH BISPHOSPHONATE NOVARTIS AG (CH) 2011-02-10 — — US disclosed
US-20110034418-A1 PHARMACEUTICAL COMPOSITION WITH BISPHOSPHONATE NOVARTIS AG (CH) 2011-02-10 — — US disclosed
US-20110034418-A1 PHARMACEUTICAL COMPOSITION WITH BISPHOSPHONATE NOVARTIS AG (CH) 2011-02-10 — — US disclosed
WO-2009121935-A2 PHARMACEUTICAL COMPOSITION WITH BISPHOSPHONATE NOVARTIS AG (CH) 2009-10-08 — — WO disclosed
US-20090143337-A1 C2-C5-Alkyl-Imidazole-Bisphosphonates NOVARTIS AG (CH) 2009-06-04 — — US disclosed
US-20090143337-A1 C2-C5-Alkyl-Imidazole-Bisphosphonates NOVARTIS AG (CH) 2009-06-04 — — US disclosed
US-20090143337-A1 C2-C5-Alkyl-Imidazole-Bisphosphonates NOVARTIS AG (CH) 2009-06-04 — — US disclosed
WO-2009068567-A1 C2-C5-ALKYL-IMIDAZOLE-BISPHOSPHONATES NOVARTIS AG (CH) 2009-06-04 — — 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 (3 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-20110224173-A1 C2-C5-Alkyl-Imidazole-Bisphosphonates INPP5B, PPIP5K2, INPPL1 GGPS1 5/4885FDPS 231/4885BTN3A1 4194/4885
US-20110034418-A1 PHARMACEUTICAL COMPOSITION WITH BISPHOSPHONATE SOST, SLC20A1, SLC34A1 GGPS1 159/4885FDPS 390/4885BTN3A1 2781/4885
US-20090143337-A1 C2-C5-Alkyl-Imidazole-Bisphosphonates PPIP5K2, INPP5B, INPPL1 GGPS1 5/4885FDPS 235/4885BTN3A1 4199/4885

“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.

Send feedback