SCHEMBL3356307

SCHEMBL3356307

O=P(O)(O)C(O)(Cc1ccc(-c2ccccc2-c2ccccc2)cc1)P(=O)(O)O

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FDPS P14324 10/20 0.71
GGPS1 O95749 6/20 0.65
BTN3A1 O00481 1/20 0.47
PDE3A Q14432 1/20 0.47
PTPN5 P54829 1/20 0.42
ACP3 P15309 1/20 0.41

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
SCHEMBL13458846 0.86 GGPS1 (0.78) FDPSGGPS1BTN3A1PDE3APTPN5
SCHEMBL3357622 0.85 GGPS1 (0.82) FDPSGGPS1BTN3A1PDE3APTPN5
SCHEMBL3846830 0.84 FDPS (1.00) FDPSGGPS1BTN3A1PDE3A
SCHEMBL11043838 0.81 FDPS (0.60) FDPSGGPS1BTN3A1PDE3APTPN5
SCHEMBL30951466 0.77 GGPS1 (0.56) FDPSGGPS1PTPN5ACP3
SCHEMBL13431339 0.75 GGPS1 (1.00) FDPSGGPS1BTN3A1PDE3APTPN5
SCHEMBL30683242 0.74 FDPS (0.71) FDPSGGPS1BTN3A1PDE3A
SCHEMBL271001 0.74 FDPS (1.00) FDPSGGPS1BTN3A1PDE3A
SCHEMBL3358382 0.74 GGPS1 (0.57) FDPSGGPS1PTPN5
Phosphoric Acid SCHEMBL1281473 0.73 ALDH1A1 (0.52) PTPN5ACP3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687482-B2 Bisphosphonate compounds and methods THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-03-30 US disclosed
US-7687482-B2 Bisphosphonate compounds and methods THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-03-30 US disclosed
EP-2001486-A2 BISPHOSPHONATE COMPOUNDS AND METHODS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-12-17 EP disclosed
US-20070275931-A1 BISPHOSPHONATE COMPOUNDS AND METHODS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2007-11-29 US disclosed
US-20070275931-A1 BISPHOSPHONATE COMPOUNDS AND METHODS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2007-11-29 US disclosed
WO-2007109585-A2 BISPHOSPHONATE COMPOUNDS AND METHODS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2007-09-27 WO 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 (1 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-20070275931-A1 BISPHOSPHONATE COMPOUNDS AND METHODS FDPS, GGPS1, FNTB FDPS 1/4885GGPS1 2/4885BTN3A1 288/4885

“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.