SCHEMBL2456971

SCHEMBL2456971

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

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FDPS P14324 14/20 0.51
PDE3A Q14432 2/20 0.51
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.39
ADRB3 P13945 1/20 0.39
PDE4D Q08499 1/20 0.39
BTN3A1 O00481 4/20 0.36
GGPS1 O95749 6/20 0.36
ENO1 P06733 1/20 0.33

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
SCHEMBL2457078 0.99 FDPS (0.50) FDPSPDE3AALDH1A1LMNAADRB3
SCHEMBL2459616 0.93 ALDH1A1 (0.44) FDPSPDE3AALDH1A1LMNAADRB3
SCHEMBL2458967 0.90 FDPS (0.42) FDPSPDE3AALDH1A1LMNAADRB3
SCHEMBL9188504 0.89 FDPS (0.41) FDPSPDE3AALDH1A1LMNAADRB3
SCHEMBL2455044 0.89 FDPS (0.51) FDPSPDE3AALDH1A1LMNAADRB3
SCHEMBL2598916 0.86 FDPS (0.46) FDPSPDE3AALDH1A1LMNAADRB3
SCHEMBL7855147 0.84 FDPS (0.43) FDPSPDE3ALMNAADRB3PDE4D
SCHEMBL2459061 0.84 BTN3A1 (0.40) FDPSPDE3AALDH1A1BTN3A1GGPS1
SCHEMBL9191973 0.84 ALDH1A1 (0.40) FDPSPDE3AALDH1A1BTN3A1GGPS1
SCHEMBL7865302 0.82 FDPS (0.41) FDPSPDE3ALMNAADRB3PDE4D

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 FDPS 2668/4885PDE3A 49/4885ALDH1A1 3179/4885

“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.