SCHEMBL2455508

SCHEMBL2455508

O=P(O)(O)C(CCCSc1ccccc1)P(=O)(O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
FDPS P14324 5/20 0.50
MAPK1 P28482 1/20 0.48
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 1/20 0.44
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42

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
SCHEMBL2457756 0.79 KMT2A (0.43) ALDH1A1FDPSMAPK1HDAC3HDAC4
SCHEMBL2598121 0.78 FDPS (0.42) ALDH1A1FDPS
SCHEMBL2513707 0.77 ALDH1A1 (0.62) ALDH1A1FDPSMAPK1HDAC3HDAC4
SCHEMBL10484334 0.77 HDAC3 (0.52) ALDH1A1FDPSHDAC3HDAC4HDAC1
SCHEMBL7165932 0.77 FDPS (0.52) ALDH1A1FDPSMAPK1HDAC3HDAC4
SCHEMBL8915911 0.77 HDAC1 (0.44) ALDH1A1FDPSMAPK1HDAC3HDAC4
SCHEMBL8918701 0.77 HDAC1 (0.44) ALDH1A1FDPSMAPK1HDAC3HDAC4
SCHEMBL5694457 0.75 ALDH1A1 (0.58) ALDH1A1MAPK1HDAC3HDAC4HDAC1
SCHEMBL8914859 0.74 FDPS (0.50) ALDH1A1FDPSMAPK1HDAC3HDAC4
SCHEMBL8916211 0.74 ANPEP (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2

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-20110224128-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCULAR DYSTROPHY WHALEN ANNE 2011-09-15 US disclosed
US-4876248-A Anti-inflammatory products derived from methylene-diphosphonic acid, and process for their preparation SANOFI (FR) 1989-10-24 US disclosed
US-4746654-A ANTIARTHRITIC SANOFI (FR) 1988-05-24 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-20110224128-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCULAR DYSTROPHY PYGM, TNNC1, MYOF ALDH1A1 3179/4885FDPS 2668/4885MAPK1 4499/4885

“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.