SCHEMBL12060368

SCHEMBL12060368

COc1cc[n+](CC(O)(P(=O)(O)O)P(=O)(O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 11/20 0.46
▸ GGPS1 O95749 2/20 0.40
▸ ANPEP P15144 1/20 0.36
▸ ERAP2 Q6P179 1/20 0.36
▸ ACP3 P15309 1/20 0.36
▸ ATM Q13315 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 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
SCHEMBL12048182 0.92 FDPS (0.42) FDPSGGPS1ANPEPERAP2ACP3
SCHEMBL12060353 0.81 GGPS1 (0.52) FDPSGGPS1
SCHEMBL12060540 0.79 GGPS1 (0.63) FDPSGGPS1CA1CA2
SCHEMBL12060356 0.77 FDPS (0.46) FDPSGGPS1ATM
SCHEMBL12048171 0.75 GGPS1 (0.49) FDPSGGPS1
SCHEMBL12060628 0.75 GGPS1 (0.62) FDPSGGPS1
SCHEMBL12060615 0.75 FDPS (0.47) FDPSGGPS1ACP3CA1
SCHEMBL12060548 0.74 GGPS1 (0.62) FDPSGGPS1
SCHEMBL12060370 0.73 GGPS1 (0.47) FDPSGGPS1
SCHEMBL12048205 0.73 GGPS1 (0.59) FDPSGGPS1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071573-B2 Bisphosphonate compounds and methods for bone resorption diseases, cancer, bone pain, immune disorders, and infectious diseases THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS, A BODY CORPORATE AND POLITIC OF THE STATE OF ILLINOIS (US) 2011-12-06 — — US disclosed
US-20100316676-A1 Bisphosphonate Compounds and Methods for Bone Resorption Diseases, Cancer, Bone Pain, Immune Disorders, and Infectious Diseases THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS, A BODY CORPORATE AND POLITIC OF THE STATE OF ILLINOIS 2010-12-16 — — US disclosed
US-7745422-B2 Bisphosphonate compounds and methods for bone resorption diseases, cancer, bone pain, immune disorders, and infectious diseases THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-06-29 — — US disclosed
US-20080318906-A1 BISPHOSPHONATE COMPOUNDS AND METHODS FOR BONE RESORPTION DISEASES, CANCER, BONE PAIN, IMMUNE DISORDERS, AND INFECTIOUS DISEASES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-12-25 — — US disclosed
US-7358361-B2 Biophosphonate compounds and methods for bone resorption diseases, cancer, bone pain, immune disorders, and infectious diseases THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-04-15 — — 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 (2 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-20100316676-A1 Bisphosphonate Compounds and Methods for Bone Resorption Diseases, Cancer, Bone Pain, Immune Disorders, and Infectious Diseases FDPS, GGPS1, MVD FDPS 1/4885GGPS1 2/4885ANPEP 1219/4885
US-20080318906-A1 BISPHOSPHONATE COMPOUNDS AND METHODS FOR BONE RESORPTION DISEASES, CANCER, BONE PAIN, IMMUNE DISORDERS, AND INFECTIOUS DISEASES FDPS, GGPS1, MVD FDPS 1/4885GGPS1 2/4885ANPEP 1219/4885

“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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