SCHEMBL12060615

SCHEMBL12060615

O=P(O)(O)C(O)(C[n+]1ccc(C(F)(F)F)cc1)P(=O)(O)O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 7/20 0.47
▸ GGPS1 O95749 2/20 0.41
▸ ACP3 P15309 2/20 0.39
▸ PGK1 P00558 4/20 0.38
▸ PGK2 P07205 4/20 0.38
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ PTPN1 P18031 2/20 0.36
▸ PTPN2 P17706 1/20 0.34
▸ PTPN6 P29350 1/20 0.34
▸ PTPN11 Q06124 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
SCHEMBL12048203 0.91 FDPS (0.40) FDPSGGPS1ACP3PGK1PGK2
SCHEMBL12060603 0.81 GGPS1 (0.53) FDPSGGPS1ACP3PGK1PGK2
SCHEMBL12060360 0.78 GGPS1 (0.64) FDPSGGPS1ACP3PTPN1
SCHEMBL12060357 0.77 FDPS (0.51) FDPSGGPS1
SCHEMBL12060628 0.76 GGPS1 (0.62) FDPSGGPS1PTPN1
SCHEMBL12060356 0.75 FDPS (0.46) FDPSGGPS1
SCHEMBL12060368 0.75 FDPS (0.46) FDPSGGPS1ACP3CA1
SCHEMBL12048107 0.74 FDPS (0.56) FDPSGGPS1
SCHEMBL12060363 0.73 FDPS (0.54) FDPSGGPS1
SCHEMBL12048199 0.73 GGPS1 (0.49) FDPSGGPS1ACP3PGK1PGK2

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 2/4885ACP3 48/4885
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 2/4885ACP3 48/4885

“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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