SCHEMBL2532831

SCHEMBL2532831

CCC(c1ccccc1)c1cncn1CC(O)(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 14/20 0.43
▸ BTN3A1 O00481 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ GGPS1 O95749 2/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ MMP8 P22894 1/20 0.36
▸ MMP14 P50281 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ CA14 Q9ULX7 1/20 0.36
▸ PDE3A Q14432 1/20 0.35
▸ CYP1A2 P05177 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ GABRA1 P14867 2/20 0.34
▸ GABRB2 P47870 2/20 0.34
▸ CYP11B1 P15538 2/20 0.34
▸ CYP11B2 P19099 2/20 0.34
▸ CYP2C9 P11712 1/20 0.34

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
SCHEMBL1157279 0.83 FDPS (0.48) FDPSBTN3A1LMNAGGPS1CA12
SCHEMBL1076063 0.80 FDPS (0.50) FDPSBTN3A1LMNAGGPS1CA12
SCHEMBL1028191 0.73 FDPS (0.51) FDPSBTN3A1LMNAGGPS1CA12
SCHEMBL1028197 0.72 FDPS (0.58) FDPSBTN3A1LMNAGGPS1CA12
SCHEMBL2529194 0.72 CYP11B1 (0.46) FDPSBTN3A1GGPS1PDE3ACYP11B1
SCHEMBL1029369 0.72 FDPS (0.50) FDPSBTN3A1LMNAGGPS1CA12
SCHEMBL1027186 0.72 FDPS (0.50) FDPSBTN3A1LMNAGGPS1CA12
SCHEMBL1083518 0.70 FDPS (0.49) FDPSBTN3A1LMNAGGPS1CA12
SCHEMBL2532821 0.70 CYP11B1 (0.50) FDPSBTN3A1GGPS1PDE3ACYP11B1
SCHEMBL1157059 0.69 GGPS1 (0.47) FDPSBTN3A1LMNAGGPS1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110257131-A1 PHENYLALKYL-IMIDAZOLE-BISPHOSPHONATE COMPOUNDS NOVARTIS AG (CH) 2011-10-20 — — 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-20110257131-A1 PHENYLALKYL-IMIDAZOLE-BISPHOSPHONATE COMPOUNDS PTEN, INPP5D, PPIP5K2 FDPS 562/4885BTN3A1 3094/4885LMNA 3046/4885

“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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