SCHEMBL5669129

SCHEMBL5669129

O=C(O)CC(P(=O)(OCc1ccccc1)OCc1ccccc1)P(=O)(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
FOLH1 Q04609 1/20 0.48
CETP P11597 3/20 0.46
CPA1 P15085 2/20 0.43
CPB1 P15086 1/20 0.43
CPA3 P15088 1/20 0.43
CPB2 Q96IY4 1/20 0.43
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 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
SCHEMBL14139643 0.90 TSHR (0.45) TSHRFOLH1CETPCPA1CPB1
SCHEMBL4634504 0.87 TSHR (0.51) TSHRFOLH1CETPALDH1A1KMT2A
SCHEMBL17359392 0.84 TSHR (0.49) TSHRFOLH1CETPALDH1A1NPC1
SCHEMBL17357042 0.82 TSHR (0.54) TSHRFOLH1CETPALDH1A1MAPK1
SCHEMBL13892565 0.81 TSHR (0.56) TSHRFOLH1CETPALDH1A1NPC1
SCHEMBL13228165 0.81 TSHR (0.45) TSHRFOLH1CETPTDP1
SCHEMBL13892549 0.79 TSHR (0.55) TSHRFOLH1CETPALDH1A1NPC1
SCHEMBL10832425 0.78 TSHR (0.62) TSHRFOLH1CETPALDH1A1KMT2A
SCHEMBL10832590 0.76 TSHR (0.55) TSHRFOLH1CETPALDH1A1KMT2A
SCHEMBL11303293 0.76 TSHR (0.55) TSHRFOLH1CETPALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722018-B2 Method for preparing nanoparticles covered with a gem-bisphosphonate stabilizing layer coupled to hydrophilic distribution ligands GUERBET (FR) 2014-05-13 US disclosed
US-8722018-B2 Method for preparing nanoparticles covered with a gem-bisphosphonate stabilizing layer coupled to hydrophilic distribution ligands GUERBET (FR) 2014-05-13 US disclosed
US-8404664-B2 Phosphonated Rifamycins and uses thereof for the prevention and treatment of bone and joint infections TARGANTA THERAPEUTICS, INC. (CA) 2013-03-26 US disclosed
US-20110263534-A1 PHOSPHONATED RIFAMYCINS AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS TARGANTA THERAPEUTICS, INC. 2011-10-27 US disclosed
US-20100215586-A1 NOVEL METHOD FOR PREPARING NANOPARTICLES COVERED WITH A GEM-BISPHOSPHONATE STABILIZING LAYER COUPLED TO HYDROPHILIC BIODISTRIBUTION LIGANDS GUERBET (FR) 2010-08-26 US disclosed
US-20100215586-A1 NOVEL METHOD FOR PREPARING NANOPARTICLES COVERED WITH A GEM-BISPHOSPHONATE STABILIZING LAYER COUPLED TO HYDROPHILIC BIODISTRIBUTION LIGANDS GUERBET (FR) 2010-08-26 US disclosed
WO-2009053596-A2 NOVEL METHOD FOR PREPARING NANOPARTICLES COVERED WITH A GEM-BISPHOSPHONATE STABILISING LAYER COUPLED TO HYDROPHILIC BIODISTRIBUTION LIGANDS GUERBET (FR) 2009-04-30 WO disclosed
US-20060189567-A1 Compound having affinity with calcified tissue NIHON MEDI-PHYSICS CO., LTD. (JP) 2006-08-24 US disclosed
EP-1609797-A1 COMPOUND HAVING AFFINITY WITH CALCIFIED TISSUE Nihon Medi-Physics Co., Ltd. (JP) 2005-12-28 EP 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 (3 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-20060189567-A1 Compound having affinity with calcified tissue SLC7A1, MBNL1, SHBG TSHR 879/4885FOLH1 1422/4885CETP 826/4885
US-20100215586-A1 NOVEL METHOD FOR PREPARING NANOPARTICLES COVERED WITH A GEM-BISPHOSPHONATE STABILIZING LAYER COUPLED TO HYDROPHILIC BIODISTRIBUTION LIGANDS GMNN, PHOSPHO1, GEMIN4 TSHR 2745/4885FOLH1 89/4885CETP 383/4885
US-20110263534-A1 PHOSPHONATED RIFAMYCINS AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS BPGM, SOST, PSPH TSHR 4317/4885FOLH1 1237/4885CETP 2811/4885

“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.