SCHEMBL2456571

SCHEMBL2456571

CC(C)(C)C(=O)OCOP(=O)(O)C(O)(CCN)P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
FDPS P14324 3/20 0.40
PDE3A Q14432 2/20 0.40
LMNA P02545 1/20 0.40
ADRB3 P13945 1/20 0.40
PDE4D Q08499 1/20 0.40
BTN3A1 O00481 5/20 0.37
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
ENO1 P06733 1/20 0.34

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
SCHEMBL2458967 0.92 FDPS (0.42) ALDH1A1FDPSPDE3ALMNAADRB3
SCHEMBL9188504 0.91 FDPS (0.41) ALDH1A1FDPSPDE3ALMNAADRB3
SCHEMBL2598916 0.84 FDPS (0.46) ALDH1A1FDPSPDE3ALMNAADRB3
SCHEMBL9192418 0.84 ALDH1A1 (0.39) ALDH1A1FDPSBTN3A1FNTAFNTB
SCHEMBL2453750 0.84 BTN3A1 (0.40) ALDH1A1BTN3A1FNTAFNTBENO1
SCHEMBL2454837 0.83 ALDH1A1 (0.40) ALDH1A1FDPSPDE3ABTN3A1ENO1
SCHEMBL2459616 0.82 ALDH1A1 (0.44) ALDH1A1FDPSPDE3ALMNAADRB3
SCHEMBL2455044 0.82 FDPS (0.51) ALDH1A1FDPSPDE3ALMNAADRB3
SCHEMBL2456971 0.82 FDPS (0.51) ALDH1A1FDPSPDE3ALMNAADRB3
SCHEMBL2459294 0.81 ALDH1A1 (0.39) ALDH1A1FDPSBTN3A1ENO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0416689-B1 Acyloxymethyl esters of bisphosphonic acids as bone resorption inhibitors MERCK & CO INC (US) 1995-11-29 EP claimed
US-5227506-A Acyloxymethyl esters of bisphosphonic acids as bone resorption inhibitors MERCK & CO., INC. (US) 1993-07-13 US claimed
EP-0416689-A2 Acyloxymethyl esters of bisphosphonic acids as bone resorption inhibitors MERCK & CO. INC. (US) 1991-03-13 EP claimed
WO-2011146819-A2 METHODS AND COMPOSITIONS FOR TREATMENT NF-κB-MEDIATED AND α7 INTEGRIN-SUPPRESSED DISEASES DMD THERAPIES, LLC (US) 2011-11-24 WO disclosed
US-20110224128-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCULAR DYSTROPHY WHALEN ANNE 2011-09-15 US disclosed
EP-0416689-B1 Acyloxymethyl esters of bisphosphonic acids as bone resorption inhibitors MERCK & CO INC (US) 1995-11-29 EP disclosed
US-5227506-A Acyloxymethyl esters of bisphosphonic acids as bone resorption inhibitors MERCK & CO., INC. (US) 1993-07-13 US disclosed
EP-0416689-A2 Acyloxymethyl esters of bisphosphonic acids as bone resorption inhibitors MERCK & CO. INC. (US) 1991-03-13 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 (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-20110224128-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCULAR DYSTROPHY PYGM, TNNC1, MYOF ALDH1A1 3179/4885FDPS 2668/4885PDE3A 49/4885

“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.