SCHEMBL2459702

SCHEMBL2459702

CCCCCCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.97

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FDPS P14324 19/20 0.97
GGPS1 O95749 8/20 0.97
AGTR1 P30556 1/20 0.97
OPRM1 P35372 1/20 0.97
PDE3A Q14432 1/20 0.97
S1PR2 O95136 1/20 0.64
S1PR1 P21453 1/20 0.64
S1PR3 Q99500 1/20 0.64
S1PR5 Q9H228 1/20 0.64

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
SCHEMBL13308411 1.00 FDPS (0.97) FDPSGGPS1AGTR1OPRM1PDE3A
Ibandronic Acid SCHEMBL5818379 0.98 FDPS (1.00) FDPSGGPS1AGTR1OPRM1PDE3A
Ibandronic Acid SCHEMBL9183 0.98 FDPS (1.00) FDPSGGPS1AGTR1OPRM1PDE3A
Ibandronic Acid SCHEMBL1030766 0.97 FDPS (0.97) FDPSGGPS1AGTR1OPRM1PDE3A
Ibandronic Acid SCHEMBL27857197 0.97 FDPS (0.97) FDPSGGPS1AGTR1OPRM1PDE3A
Ibandronic Acid SCHEMBL1579193 0.97 FDPS (0.97) FDPSGGPS1AGTR1OPRM1PDE3A
Ibandronic Acid SCHEMBL3419518 0.97 FDPS (0.97) FDPSGGPS1AGTR1OPRM1PDE3A
Ibandronic Acid SCHEMBL1240437 0.97 FDPS (0.97) FDPSGGPS1AGTR1OPRM1PDE3A
Ibandronic Acid SCHEMBL3415425 0.95 FDPS (0.93) FDPSGGPS1AGTR1OPRM1PDE3A
Ibandronic Acid SCHEMBL1240197 0.95 FDPS (0.93) FDPSGGPS1AGTR1OPRM1PDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4927814-A Diphosphonate derivatives, pharmaceutical compositions and methods of use BOEHRINGER MANNHEIM GMBH (DE) 1990-05-22 US claimed
WO-2011146819-A2 METHODS AND COMPOSITIONS FOR TREATMENT NF-κB-MEDIATED AND α7 INTEGRIN-SUPPRESSED DISEASES DMD THERAPIES, LLC (US) 2011-11-24 WO disclosed
US-20110224128-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCULAR DYSTROPHY WHALEN ANNE 2011-09-15 US disclosed
US-4927814-A Diphosphonate derivatives, pharmaceutical compositions and methods of use BOEHRINGER MANNHEIM GMBH (DE) 1990-05-22 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-20110224128-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCULAR DYSTROPHY PYGM, TNNC1, MYOF FDPS 2668/4885GGPS1 2599/4885AGTR1 4243/4885

“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.