SCHEMBL12257802

SCHEMBL12257802

CCCc1ccc[n+](CC(P(=O)(O)O)P(=O)(O)O)c1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GGPS1 O95749 16/20 0.69
▸ FDPS P14324 6/20 0.50

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
SCHEMBL12060626 0.92 GGPS1 (0.77) GGPS1FDPS
SCHEMBL12060529 0.89 GGPS1 (0.86) GGPS1FDPS
SCHEMBL12060539 0.89 GGPS1 (0.86) GGPS1FDPS
SCHEMBL12257807 0.89 GGPS1 (0.86) GGPS1FDPS
SCHEMBL12060612 0.88 GGPS1 (0.61) GGPS1FDPS
SCHEMBL14199569 0.86 GGPS1 (0.74) GGPS1FDPS
SCHEMBL12060526 0.86 GGPS1 (0.59) GGPS1FDPS
SCHEMBL14199568 0.83 GGPS1 (0.80) GGPS1FDPS
SCHEMBL14199586 0.83 GGPS1 (0.80) GGPS1FDPS
SCHEMBL12257842 0.81 GGPS1 (0.57) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8012949-B2 Pyridinium-1-yl, quinolinium-1-yl, and related compounds; parasitic infections, for example against trypanosomes; inhibiting the enzyme farnesyl diphosphate synthase THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-09-06 — — US disclosed
US-20080255070-A1 Bisphosphonate Compounds and Methods with Enhanced Potency for Multiple Targets including FPPS, GGPPS, AND DPPS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-10-16 — — 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-20080255070-A1 Bisphosphonate Compounds and Methods with Enhanced Potency for Multiple Targets including FPPS, GGPPS, AND DPPS GGPS1, FDPS, FNTA GGPS1 1/4885FDPS 2/4885

“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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