SCHEMBL12060622

SCHEMBL12060622

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

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GGPS1 O95749 16/20 0.56
▸ FDPS P14324 3/20 0.45
▸ HDAC8 Q9BY41 1/20 0.36
▸ CA12 O43570 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ ACP3 P15309 1/20 0.35

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
SCHEMBL14199556 0.91 GGPS1 (0.55) GGPS1FDPSHDAC8
SCHEMBL12060534 0.80 GGPS1 (0.56) GGPS1FDPSHDAC8
SCHEMBL12060613 0.80 GGPS1 (0.83) GGPS1FDPSHDAC8CA12MMP2
SCHEMBL12060602 0.80 GGPS1 (0.83) GGPS1FDPS
SCHEMBL12060627 0.80 GGPS1 (0.56) GGPS1FDPSCA12MMP2CA9
SCHEMBL12060601 0.79 GGPS1 (0.83) GGPS1FDPSCA12CA2MMP2
SCHEMBL12060612 0.78 GGPS1 (0.61) GGPS1FDPS
SCHEMBL12060621 0.78 GGPS1 (0.54) GGPS1FDPS
SCHEMBL14227952 0.78 GGPS1 (0.57) GGPS1FDPS
SCHEMBL12060604 0.76 GGPS1 (0.58) 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 1/4885HDAC8 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 2/4885FDPS 1/4885HDAC8 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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