SCHEMBL15629938

SCHEMBL15629938

CN(CCCOc1cccc(/C=N/NS(=O)(=O)c2cccc3c(N(C)C)cccc23)c1)CCC(O)(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 17/20 0.53
▸ F2 P00734 1/20 0.40
▸ PRSS1 P07477 1/20 0.40
▸ PRSS2 P07478 1/20 0.40
▸ PRSS3 P35030 1/20 0.40
▸ GGPS1 O95749 1/20 0.38

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
SCHEMBL15629943 0.90 FDPS (0.51) FDPSGGPS1
SCHEMBL15629875 0.86 FDPS (0.40) FDPSF2PRSS1PRSS2PRSS3
SCHEMBL15629895 0.85 FDPS (0.47) FDPSGGPS1
SCHEMBL15629915 0.84 FDPS (0.46) FDPS
SCHEMBL15629923 0.83 FDPS (0.45) FDPS
SCHEMBL15629896 0.82 FDPS (0.43) FDPS
SCHEMBL15629882 0.80 FDPS (0.42) FDPS
SCHEMBL15629924 0.80 FDPS (0.42) FDPS
SCHEMBL12972897 0.79 FDPS (0.56) FDPSGGPS1
SCHEMBL15629897 0.77 FDPS (0.43) FDPSGGPS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9173946-B2 Bifunctional hydroxy-bisphosphonic acid derivatives ATLANTHERA (FR) 2015-11-03 — — US disclosed
US-20140086843-A1 BIFUNCTIONAL HYDROXY-BISPHOSPHONIC ACID DERIVATIVES ATLANTHERA (FR) 2014-03-27 — — 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-20140086843-A1 BIFUNCTIONAL HYDROXY-BISPHOSPHONIC ACID DERIVATIVES BPGM, PHPT1, PTH1R FDPS 275/4885F2 2113/4885PRSS1 3260/4885

“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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