SCHEMBL12060352

SCHEMBL12060352

O=P(O)(O)C(O)(C[n+]1cccc(-c2ccccc2)c1)P(=O)(O)O

nearest known ligand 0.84

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GGPS1 O95749 6/20 0.84
▸ LMNA P02545 2/20 0.46
▸ FDPS P14324 4/20 0.45
▸ CHRNA7 P36544 6/20 0.40
▸ CHRNA10 Q9GZZ6 6/20 0.40
▸ CHRNA9 Q9UGM1 6/20 0.40
▸ PTPN5 P54829 2/20 0.40
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNB4 P30926 1/20 0.38
▸ CHRNA3 P32297 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PTPN1 P18031 1/20 0.37

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
SCHEMBL12060355 0.94 GGPS1 (0.85) GGPS1LMNAFDPSCHRNA7CHRNA10
SCHEMBL12048146 0.91 GGPS1 (0.76) GGPS1LMNAFDPSCHRNA7CHRNA10
SCHEMBL12060371 0.88 GGPS1 (0.67) GGPS1LMNAFDPSPTPN5
SCHEMBL12048151 0.87 GGPS1 (0.78) GGPS1LMNAFDPSCHRNA7CHRNA10
SCHEMBL12060360 0.86 GGPS1 (0.64) GGPS1FDPSPTPN5PTPN1
SCHEMBL12060628 0.85 GGPS1 (0.62) GGPS1FDPSPTPN5PTPN1
SCHEMBL12060540 0.85 GGPS1 (0.63) GGPS1LMNAFDPSRAB9A
SCHEMBL14199552 0.82 GGPS1 (0.63) GGPS1LMNAFDPSPTPN5HTT
SCHEMBL12048125 0.82 GGPS1 (0.59) GGPS1FDPSPTPN5
SCHEMBL12060365 0.82 GGPS1 (0.59) GGPS1FDPSCHRNA7CHRNA10CHRNA9

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 9 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
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 (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 2/4885LMNA 3198/4885FDPS 1/4885
US-20080255070-A1 Bisphosphonate Compounds and Methods with Enhanced Potency for Multiple Targets including FPPS, GGPPS, AND DPPS GGPS1, FDPS, FNTA GGPS1 1/4885LMNA 4698/4885FDPS 2/4885
US-20080318906-A1 BISPHOSPHONATE COMPOUNDS AND METHODS FOR BONE RESORPTION DISEASES, CANCER, BONE PAIN, IMMUNE DISORDERS, AND INFECTIOUS DISEASES FDPS, GGPS1, MVD GGPS1 2/4885LMNA 3198/4885FDPS 1/4885

“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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