SCHEMBL12060548

SCHEMBL12060548

COc1cccc(-c2ccc[n+](CC(O)(P(=O)(O)O)P(=O)(O)O)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GGPS1 O95749 7/20 0.62
▸ HDAC4 P56524 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ FDPS P14324 2/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ SLC13A5 Q86YT5 1/20 0.38
▸ HSD17B1 P14061 1/20 0.38
▸ S1PR1 P21453 1/20 0.37
▸ S1PR3 Q99500 1/20 0.37
▸ KAT6A Q92794 1/20 0.37
▸ MAOB P27338 1/20 0.36
▸ PTPN5 P54829 1/20 0.36

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
SCHEMBL12048261 0.94 GGPS1 (0.58) GGPS1HDAC4HDAC8FDPSBRD4
SCHEMBL12060540 0.88 GGPS1 (0.63) GGPS1HDAC4HDAC8FDPS
SCHEMBL12060353 0.86 GGPS1 (0.52) GGPS1FDPS
SCHEMBL12060355 0.83 GGPS1 (0.85) GGPS1FDPSPTPN5
SCHEMBL12048205 0.82 GGPS1 (0.59) GGPS1HDAC4HDAC8FDPS
SCHEMBL12060352 0.80 GGPS1 (0.84) GGPS1FDPSPTPN5
SCHEMBL12048171 0.80 GGPS1 (0.49) GGPS1FDPS
SCHEMBL12048151 0.79 GGPS1 (0.78) GGPS1FDPSPTPN5
SCHEMBL12436806 0.79 GGPS1 (0.65) GGPS1HDAC4HDAC8FDPSBRD4
SCHEMBL12060530 0.76 GGPS1 (0.58) GGPS1FDPSS1PR1

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 2/4885HDAC4 4256/4885HDAC8 4293/4885
US-20080318906-A1 BISPHOSPHONATE COMPOUNDS AND METHODS FOR BONE RESORPTION DISEASES, CANCER, BONE PAIN, IMMUNE DISORDERS, AND INFECTIOUS DISEASES FDPS, GGPS1, MVD GGPS1 2/4885HDAC4 4256/4885HDAC8 4293/4885

“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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