SCHEMBL12972910

SCHEMBL12972910

CN(CCCOc1cccc(CN(C)S(=O)(=O)c2cccc3c(N(C)C)cccc23)c1)CCC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 11/20 0.41
▸ BCHE P06276 8/20 0.41
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ NCOR2 Q9Y618 1/20 0.39
▸ LTA4H P09960 3/20 0.38
▸ ABCB1 P08183 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL2789343 0.90 LTA4H (0.48) ACHEBCHEHDAC3HDAC1HDAC2
SCHEMBL2790125 0.88 ACHE (0.43) ACHEBCHELTA4H
SCHEMBL12991254 0.83 ACHE (0.39) ACHEBCHELTA4H
SCHEMBL12972897 0.83 FDPS (0.56) —
SCHEMBL2788674 0.80 LTA4H (0.49) ACHEBCHELTA4H
SCHEMBL17166935 0.79 HDAC6 (0.41) HDAC3HDAC1HDAC2HDAC6NCOR2
SCHEMBL17156982 0.76 LTA4H (0.54) ACHEBCHELTA4H
SCHEMBL2786701 0.75 LTA4H (0.50) ACHEBCHELTA4H
SCHEMBL17166936 0.75 GGPS1 (0.38) ACHEBCHEHDAC3HDAC1HDAC2
SCHEMBL2787271 0.74 LTA4H (0.45) ACHEBCHELTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2240501-B1 HYDROXY-BISPHOSPHONIC ACID DERIVATIVES AS VECTOR FOR TARGETING BONE TISSUE UNIV NANTES (FR) 2015-10-14 — — EP disclosed
US-8361993-B2 Hydroxy-bisphosphonic acid derivatives as vector targeting bone tissue UNIVERSITE DE NANTES (FR) 2013-01-29 — — US disclosed
US-8361993-B2 Hydroxy-bisphosphonic acid derivatives as vector targeting bone tissue UNIVERSITE DE NANTES (FR) 2013-01-29 — — US disclosed
US-20100311695-A1 HYDROXY-BISPHOSPHONIC ACID DERIVATIVES AS VECTOR TARGETING BONE TISSUE UNIVERSITE DE NANTES 2010-12-09 — — US disclosed
US-20100311695-A1 HYDROXY-BISPHOSPHONIC ACID DERIVATIVES AS VECTOR TARGETING BONE TISSUE UNIVERSITE DE NANTES 2010-12-09 — — US disclosed
WO-2009083614-A1 HYDROXY-BISPHOSPHONIC ACID DERIVATIVES AS VECTOR FOR TARGETING BONE TISSUE UNIVERSITE DE NANTES (FR) 2009-07-09 — — WO 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-20100311695-A1 HYDROXY-BISPHOSPHONIC ACID DERIVATIVES AS VECTOR TARGETING BONE TISSUE BPGM, SOST, PTH1R ACHE 4870/4885BCHE 3344/4885HDAC3 2116/4885

“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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