SCHEMBL12060604

SCHEMBL12060604

O=P(O)(O)C(C[n+]1cccc(Cc2ccccc2)c1)P(=O)(O)O

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GGPS1 O95749 15/20 0.58
▸ FDPS P14324 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ LAP3 P28838 3/20 0.39
▸ ANPEP P15144 1/20 0.39
▸ LMNA P02545 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
SCHEMBL14199572 0.92 GGPS1 (0.53) GGPS1FDPSNPSR1L3MBTL1LAP3
SCHEMBL12060607 0.86 GGPS1 (0.51) GGPS1FDPSLAP3ANPEPLMNA
SCHEMBL12060612 0.83 GGPS1 (0.61) GGPS1FDPS
SCHEMBL12060601 0.81 GGPS1 (0.83) GGPS1FDPSLMNA
SCHEMBL12257802 0.81 GGPS1 (0.69) GGPS1FDPS
SCHEMBL12060626 0.78 GGPS1 (0.77) GGPS1FDPS
SCHEMBL12060526 0.78 GGPS1 (0.59) GGPS1FDPSANPEP
SCHEMBL12060630 0.78 GGPS1 (0.57) GGPS1FDPSNPSR1L3MBTL1
SCHEMBL14199554 0.78 GGPS1 (0.47) GGPS1FDPSLAP3ANPEPLMNA
SCHEMBL13351834 0.77 GGPS1 (0.70) GGPS1FDPS

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 8 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-8012949-B2 Pyridinium-1-yl, quinolinium-1-yl, and related compounds; parasitic infections, for example against trypanosomes; inhibiting the enzyme farnesyl diphosphate synthase THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-09-06 — — US disclosed
EP-1802641-B1 BISPHOSPHONATE COMPOUNDS AND METHODS FOR BONE RESORPTION DISEASES, CANCER, BONE PAIN, IMMUNE DISORDERS, AND INFECTIOUS DISEASES UNIV ILLINOIS (US) 2011-08-10 — — EP 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
WO-2008128056-A1 BISPHOSPHONATE COMPOUNDS AND METHODS WITH ENHANCED POTENCY FOR MULTIPLE TARGETS INCLUDING FPPS, GGPPS, AND DPPS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-10-23 — — WO disclosed
US-20080255070-A1 Bisphosphonate Compounds and Methods with Enhanced Potency for Multiple Targets including FPPS, GGPPS, AND DPPS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-10-16 — — 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 (3 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 GGPS1 2/4885FDPS 1/4885NPSR1 1299/4885
US-20080255070-A1 Bisphosphonate Compounds and Methods with Enhanced Potency for Multiple Targets including FPPS, GGPPS, AND DPPS GGPS1, FDPS, FNTA GGPS1 1/4885FDPS 2/4885NPSR1 2111/4885
US-20080318906-A1 BISPHOSPHONATE COMPOUNDS AND METHODS FOR BONE RESORPTION DISEASES, CANCER, BONE PAIN, IMMUNE DISORDERS, AND INFECTIOUS DISEASES FDPS, GGPS1, MVD GGPS1 2/4885FDPS 1/4885NPSR1 1299/4885

“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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