SCHEMBL12060544

SCHEMBL12060544

CCCOc1cccc(-c2ccc[n+](CC(P(=O)(O)O)P(=O)(O)O)c2)c1

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GGPS1 O95749 15/20 0.79
▸ FDPS P14324 2/20 0.57
▸ FDFT1 P37268 1/20 0.43
▸ ERN1 O75460 1/20 0.41
▸ KMT2A Q03164 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CTSA P10619 1/20 0.39

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
SCHEMBL14199589 0.95 GGPS1 (0.74) GGPS1FDPSFDFT1ERN1KMT2A
SCHEMBL12257805 0.94 GGPS1 (0.88) GGPS1FDPS
SCHEMBL12060536 0.91 GGPS1 (0.72) GGPS1FDPSKDM4EGAA
SCHEMBL14199565 0.89 GGPS1 (0.83) GGPS1FDPS
SCHEMBL12436806 0.86 GGPS1 (0.65) GGPS1FDPS
SCHEMBL14199566 0.85 GGPS1 (0.68) GGPS1FDPSKDM4EGAA
SCHEMBL12060535 0.84 GGPS1 (0.72) GGPS1FDPS
SCHEMBL14199567 0.81 GGPS1 (0.61) GGPS1FDPS
SCHEMBL17777274 0.79 GGPS1 (1.00) GGPS1FDPS
SCHEMBL29604112 0.79 GGPS1 (1.00) 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 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 GGPS1 2/4885FDPS 1/4885FDFT1 19/4885
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 1/4885FDFT1 19/4885

“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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