SCHEMBL11952615

SCHEMBL11952615

Cc1ccc[n+](CC(O)(P(C)(=O)O)P(=O)(O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GGPS1 O95749 3/20 0.52
▸ FDPS P14324 2/20 0.46
▸ PABPC1 P11940 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ LMNA P02545 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ GFER P55789 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
SCHEMBL12060351 0.92 GGPS1 (0.56) GGPS1FDPSPABPC1KMT2AATM
SCHEMBL12048259 0.85 GGPS1 (0.52) GGPS1FDPSKDM4E
SCHEMBL12048207 0.84 GGPS1 (0.51) GGPS1FDPS
SCHEMBL12048200 0.84 GGPS1 (0.51) GGPS1FDPS
SCHEMBL12048195 0.84 GGPS1 (0.51) GGPS1FDPS
SCHEMBL12048186 0.84 GGPS1 (0.51) GGPS1FDPSKMT2A
SCHEMBL12048150 0.84 GGPS1 (0.46) GGPS1FDPSKDM4EALDH1A1
SCHEMBL12048172 0.83 FDPS (0.50) GGPS1FDPS
SCHEMBL12048146 0.83 GGPS1 (0.76) GGPS1FDPSLMNAKDM4EALDH1A1
SCHEMBL12048171 0.82 GGPS1 (0.49) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120196835-A1 ENZYME INHIBITING COMPOUNDS AND METHODS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-08-02 — — US disclosed
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-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 (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-20120196835-A1 ENZYME INHIBITING COMPOUNDS AND METHODS COASY, FADS2, FDPS GGPS1 20/4885FDPS 3/4885PABPC1 3223/4885

“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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